NAV

OSI-027

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

Identification

Generic Name
OSI-027
DrugBank Accession Number
DB12387
Background

OSI-027 has been used in trials studying the treatment of Any Solid Tumor or Lymphoma.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 406.446
Monoisotopic: 406.175338592
Chemical Formula
C21H22N6O3
Synonyms
  • CYCLOHEXANECARBOXYLIC ACID, 4-(4-AMINO-5-(7-METHOXY-1H-INDOL-2-YL)IMIDAZO(5,1-F)(1,2,4)TRIAZIN-7-YL)-, TRANS-
External IDs
  • AEVI-006
  • ASP 7486
  • ASP-7486
  • ASP7486
  • CERC-006
  • CERC006
  • OSI 027
  • OSI-027
  • OSI027
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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
Not Available
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indoles
Direct Parent
Indoles
Alternative Parents
Anisoles / Alkyl aryl ethers / Substituted pyrroles / N-substituted imidazoles / Imidolactams / 1,2,4-triazines / Heteroaromatic compounds / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids
show 5 more
Substituents
1,2,4-triazine / Alkyl aryl ether / Amine / Amino acid / Amino acid or derivatives / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
25MKH1SZ0M
CAS number
936890-98-1
InChI Key
JROFGZPOBKIAEW-HAQNSBGRSA-N
InChI
InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)/t11-,12-
IUPAC Name
(1r,4r)-4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[4,3-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
SMILES
COC1=C2NC(=CC2=CC=C1)C1=C2N(N=CN=C2N)C(=N1)[C@H]1CC[C@@H](CC1)C(O)=O

References

General References
Not Available
PubChem Compound
72698550
PubChem Substance
347828634
ChemSpider
28189758
ChEMBL
CHEMBL3120215

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAny Solid Tumor or Lymphoma1
1WithdrawnTreatmentLymphatic Malformations1

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 Solubility0.0326 mg/mLALOGPS
logP2.36ALOGPS
logP2.48Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)3.82Chemaxon
pKa (Strongest Basic)2.62Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area131.42 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity122.08 m3·mol-1Chemaxon
Polarizability43.89 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0a4i-0001900000-12c94ee137dc9c41f7f4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0001900000-d2577aa2b3fab3e6f8d1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0008900000-765a80346e271aeebe44
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0008900000-9536f1590447c4668a7d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ar1-0019100000-c6defd6630a5f41ace55
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01qa-1169000000-839b69bb1701482708d2
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]-189.32916
predicted
DeepCCS 1.0 (2019)
[M+H]+191.72472
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.9582
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:10 / Updated at September 28, 2023 05:40