Details of the Drug

General Information of Drug (ID: DMZ72BD)

Drug Name
NP-G2-044
Synonyms
1ER2O3UZ4W; UNII-1ER2O3UZ4W; SCHEMBL17038863; 3-Furancarboxamide, 2-methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-; 2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide; 1807454-59-6
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 399.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H16F3N3O2
IUPAC Name
2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
Canonical SMILES
CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey
XLLRLAABUFOJPC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
91844684
CAS Number
1807454-59-6
UNII
1ER2O3UZ4W
DrugBank ID
DB14995
TTD ID
D0C2NT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fascin (FSCN1) TTTRS9B FSCN1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)