Details of the Drug

General Information of Drug (ID: DMIG82P)

Drug Name

4-aminonaphthalen-1-ol

Synonyms

4-Amino-1-naphthol; 2834-90-4; 4-Amino-1-naphthalenol; 1-Naphthalenol, 4-amino-; 1-AMINO-4-NAPHTHOL; UNII-02W29959D9; 4-amino-naphthalen-1-ol; CHEMBL576321; ABJQKDJOYSQVFX-UHFFFAOYSA-N; 4-Amino-1-naphtholhydrochloride; 02W29959D9; PCMD-CC-PAB-253; PC-0685415; 4-amino1-naphthol; 4-amino-1-naphtol; 4-azanylnaphthalen-1-ol; AC1L2AQW; 1-Amino-4-hydroxynaphthalene; SCHEMBL367092; AC1Q523Y; cid_2723858; BDBM43339; DTXSID30182580; 4-amino-1-naphthol; ZINC119431

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)

159.18

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H9NO
IUPAC Name: 4-aminonaphthalen-1-ol
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2O)N
InChI: InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
InChIKey: ABJQKDJOYSQVFX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 17815
CAS Number: 2834-90-4
TTD ID: D08XXD

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)

MIA Detail

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.