Details of the Drug

General Information of Drug (ID: DMZMSBI)

Drug Name
KO-947
Synonyms
ODIUJYZERXVGEI-UHFFFAOYSA-N; KO947; 1695533-89-1; GTPL9976; SCHEMBL16619993; EX-A1980; BCP25116; HY-112181; CS-0043627; 6-benzyl-3-pyridin-4-yl-2,5-dihydro-1H-pyrazolo[4,3-g]quinazolin-7-one; 6-benzyl-3-(pyridin-4-yl)-1,5,6,8-tetrahydro-7H-pyrazolo[4,3-g]quinazolin-7-one; KO947,1695533-89-1,1,5,6,8-Tetrahydro-6-(phenylmethyl)-3-(4-pyridinyl)-7H-pyrazolo[4,3-g]quinazolin-7-one,KO947,KO-947,KO 947
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) 355.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H17N5O
IUPAC Name
6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,3-g]quinazolin-7-one
Canonical SMILES
C1C2=CC3=C(C=C2NC(=O)N1CC4=CC=CC=C4)NN=C3C5=CC=NC=C5
InChI
InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChIKey
ODIUJYZERXVGEI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
136653617
ChEBI ID
CHEMBL4650284
TTD ID
D0A1DG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ephrin type-B receptor 2 (EPHB2) TTKPV6O EPHB2_HUMAN Inhibitor [1]
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References

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