Details of the Drug

General Information of Drug (ID: DM4H7D5)

Drug Name
PHA-767491
Synonyms
PHA-767491; 845714-00-3; PHA 767491; CAY10572(PHA-767491); PHA-767491 (CAY10572); 2-Pyridin-4-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one; 1,5,6,7-Tetrahydro-2-(4-pyridinyl)-4H-pyrrolo[3,2-c]pyridin-4-one; Pyrrolopyridinone, 1; Cdc7/Cdk9 Inhibitor; Kinome_2973; JMC502647 Compound 8; MLS006011036; SCHEMBL4767679; GTPL8763; CHEMBL225519; CTK8F8505; CHEBI:95058; BDBM27344; DTXSID50471069; MolPort-009-019-436; HMS3656P19; HMS3229B21; BCP02855; PHA-767491A; PHA767491; ZINC16052718; s2742; 2651AH; AKOS026674124; SB19465; CS-1208
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 213.23
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H11N3O
IUPAC Name
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Canonical SMILES
C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3
InChI
InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
InChIKey
DKXHSOUZPMHNIZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11715767
ChEBI ID
CHEBI:95058
CAS Number
845714-00-3
TTD ID
D03DZO
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CDC7-related kinase (CDC7) TTSMTDI CDC7_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug design with Cdc7 kinase: a potential novel cancer therapy target. Drug Des Devel Ther. 2009 Feb 6;2:255-64.