FALNIDAMOL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0MU316797D

Structure
InChI Key FTFRZXFNZVCRSK-UHFFFAOYSA-N
Smile CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
InChI
InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19ClFN7
Molecular Weight 387.85
AlogP 3.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 78.86
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 3-3 - - -
Enzyme Transferase
- - - - 6.454
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.92-20.62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 93243
ChEMBL CHEMBL258940
DrugBank DB12966
EPA CompTox DTXSID0048399
FDA SRS 0MU316797D
Guide to Pharmacology 7646
PubChem 6918508
SureChEMBL SCHEMBL158563
ZINC ZINC000001494443
CONTENTS