NAV

FF-10101-01

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

Identification

Generic Name
FF-10101-01
DrugBank Accession Number
DB16050
Background

FF-10101-01 is under investigation in clinical trial NCT03194685 (Study of FF-10101-01 in Patients With Relapsed or Refractory Acute Myeloid Leukemia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 530.677
Monoisotopic: 530.311772496
Chemical Formula
C29H38N8O2
Synonyms
Not Available
External IDs
  • FF-10101
  • FF-10101-01
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7V7IHI0SYG
CAS number
1472797-69-5
InChI Key
HJFSVYUFOXAVAA-YUAYGMJFSA-N
InChI
InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1
IUPAC Name
(2E)-N-[(1S)-1-[(5-{2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl}pent-4-yn-1-yl)carbamoyl]ethyl]-4-(dimethylamino)-N-methylbut-2-enamide
SMILES
CCCNC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C

References

General References
Not Available
ChemSpider
67896560
BindingDB
397428
PDBe Ligand
F6M
PDB Entries
5x02

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentAdult Acute Myeloid Leukemia1

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 Solubility0.0439 mg/mLALOGPS
logP3.81ALOGPS
logP3.38Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)11.9Chemaxon
pKa (Strongest Basic)8.81Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area126.28 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity155.58 m3·mol-1Chemaxon
Polarizability61.08 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-001i-0302290000-5b8f923887e36e639963
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-5754390000-e009b408c5cf567f9be6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05xa-4229600000-34b2f094d1987d01a4df
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-4209300000-4714dc7560bc5070c0e1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056u-5179320000-7fc24be213a29792a3bc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gvk-4302940000-1fe2405e9929e2f843b6
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35