Details of the Drug

General Information of Drug (ID: DM2PZ1B)

Drug Name

2-(1H-Imidazol-4-yl)benzene-1,3-diol

Synonyms

2-(1H-Imidazol-4-yl)benzene-1,3-diol; 1048983-14-7; CHEMBL509549; SCHEMBL1502239; BDBM24664; 2-(1H-imidazol-4-yl)benzene-1,3-diol, 11

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

176.17

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H8N2O2
IUPAC Name: 2-(1H-imidazol-5-yl)benzene-1,3-diol
Canonical SMILES: C1=CC(=C(C(=C1)O)C2=CN=CN2)O
InChI: InChI=1S/C9H8N2O2/c12-7-2-1-3-8(13)9(7)6-4-10-5-11-6/h1-5,12-13H,(H,10,11)
InChIKey: VMNQZTQDHXFNPD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. J Med Chem. 2008 Aug 28;51(16):4968-77.