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

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)