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]
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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

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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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.