NAV

BMS-754807

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
BMS-754807
DrugBank Accession Number
DB15399
Background

BMS-754807 is under investigation in clinical trial NCT00908024 (Combination Study of BMS-754807 and Erbitux® in Subjects With Advanced or Metastatic Solid Tumors).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 461.4948
Monoisotopic: 461.20878464
Chemical Formula
C23H24FN9O
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UInsulin-like growth factor 1 receptor
inhibitor
Humans
UInsulin receptor
inhibitor
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
W9E3353E8J
CAS number
1001350-96-4
InChI Key
LQVXSNNAFNGRAH-QHCPKHFHSA-N
InChI
InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
IUPAC Name
(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide
SMILES
C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1

References

General References
Not Available
ChemSpider
24637163
BindingDB
107000
ChEBI
88339
ChEMBL
CHEMBL575448
ZINC
ZINC000043203317
PDBe Ligand
EBI
PDB Entries
3i81

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentBreast Cancer1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedTreatmentAdvanced Solid Tumors / Metastatic Solid Neoplasm1
1CompletedTreatmentMetastatic Cancer / Neoplasm / Solid Tumors1
1CompletedTreatmentNeoplasm1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0356 mg/mLALOGPS
logP3.81ALOGPS
logP4.42Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.01Chemaxon
pKa (Strongest Basic)2.89Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area116.13 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity139.75 m3·mol-1Chemaxon
Polarizability48.1 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-64fca85245b562b14d2e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-0000900000-add09124b7f19a62a627
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0001900000-ef359850dbfdcdf6f808
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01pc-1239800000-b5972bb8da7156684697
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-1093400000-cd342c75c2de76cd74a5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-115c-2293100000-e9eecfcd968417478f13
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-194.8137
predicted
DeepCCS 1.0 (2019)
[M+H]+197.20927
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.12181
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Insulin-like growth factor 1 receptor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Protein tyrosine kinase activity
Specific Function
Receptor tyrosine kinase which mediates actions of insulin-like growth factor 1 (IGF1). Binds IGF1 with high affinity and IGF2 and insulin (INS) with a lower affinity. The activated IGF1R is involv...
Gene Name
IGF1R
Uniprot ID
P08069
Uniprot Name
Insulin-like growth factor 1 receptor
Molecular Weight
154791.73 Da
References
  1. Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499. [Article]
  2. King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930. [Article]
Details2. Insulin receptor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Receptor signaling protein tyrosine kinase activity
Specific Function
Receptor tyrosine kinase which mediates the pleiotropic actions of insulin. Binding of insulin leads to phosphorylation of several intracellular substrates, including, insulin receptor substrates (...
Gene Name
INSR
Uniprot ID
P06213
Uniprot Name
Insulin receptor
Molecular Weight
156331.465 Da
References
  1. Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499. [Article]
  2. King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930. [Article]

Drug created at May 20, 2019 15:25 / Updated at March 13, 2021 16:57