Details of the Drug

General Information of Drug (ID: DMEGPBS)

Drug Name
PMID19854648C27
Synonyms GTPL8168; BDBM50414894
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.2
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H15Cl2N3O3
IUPAC Name
3-[(2,6-dichlorophenyl)methylamino]-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-4-one
Canonical SMILES
COC1=C(C=C2C(=C1)C3=C(C2=O)C(=NN3)NCC4=C(C=CC=C4Cl)Cl)OC
InChI
InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)
InChIKey
UUDNGLPFGYJJQX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45375987
ChEBI ID
CHEMBL573760
TTD ID
D02LIR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Eukaryotic translation initiation factor 2-alpha kinase 1 (EIF2AK1) TTRUJBV E2AK1_HUMAN Inhibitor [1]
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References

1 Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2alpha (HRI) kinase. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6548-51.