Details of the Drug

General Information of Drug (ID: DM17YHP)

Drug Name
US9132129, Cpd047
Synonyms SCHEMBL6122355; CHEMBL3910801; ZCHVIKJTLWPNBL-UHFFFAOYSA-N; BDBM179866; US9132129, Cpd047; 2-(2-methyl-4-p-tolylpyrimido[1,2-b]indazol-3-yl)pentanoic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H23N3O2
IUPAC Name
2-[2-methyl-4-(4-methylphenyl)pyrimido[1,2-b]indazol-3-yl]pentanoic acid
Canonical SMILES
CCCC(C1=C(N2C(=C3C=CC=CC3=N2)N=C1C)C4=CC=C(C=C4)C)C(=O)O
InChI
InChI=1S/C23H23N3O2/c1-4-7-18(23(27)28)20-15(3)24-22-17-8-5-6-9-19(17)25-26(22)21(20)16-12-10-14(2)11-13-16/h5-6,8-13,18H,4,7H2,1-3H3,(H,27,28)
InChIKey
ZCHVIKJTLWPNBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
69673524
ChEBI ID
CHEMBL3910801
TTD ID
D0RP0H
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
PC4 and SFRS1-interacting protein (PSIP1) TTH9LDP PSIP1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antiviral compounds. US9132129.