Details of the Drug

General Information of Drug (ID: DM45VRX)

Drug Name

5-(isopropylamino)quinolin-8-ol

Synonyms

CHEMBL571661; 5-(isopropylamino)quinolin-8-ol; 8-Quinolinol, 5-[(1-methylethyl)amino]-; SCHEMBL12599076; BDBM50303920

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)

202.25

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H14N2O
IUPAC Name: 5-(propan-2-ylamino)quinolin-8-ol
Canonical SMILES: CC(C)NC1=C2C=CC=NC2=C(C=C1)O
InChI: InChI=1S/C12H14N2O/c1-8(2)14-10-5-6-11(15)12-9(10)4-3-7-13-12/h3-8,14-15H,1-2H3
InChIKey: BRXAKDWFCHQCDT-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	Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.