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]
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
ChEBI ID
CHEMBL576321
CAS Number
2834-90-4
TTD ID
D08XXD
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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]
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.