Details of the Drug

General Information of Drug (ID: DMEMCQ9)

Drug Name
Aminophenol
Synonyms
Benzofur GG; Fouramine OP; Nako Yellow 3GA; Nako Yellow ga; O-AMINOPHENOL; ORTHO AMINO PHENOL; Paradone Olive Green B; Pelagol 3GA; Pelagol Grey GG; 2-Aminophenol; BASF ursol 3GA; Phenol, 2-amino-; Phenol, o-amino-; Questiomycin B; Zoba 3GA; o-Hydroxyaniline; o-Hydroxyphenylamine; ortho-aminophenol; 1-Amino-2-hydroxybenzene; 1-Hydroxy-2-aminobenzene; 2-Amino-1-hydroxybenzene; 2-Aminobenzenol; 2-Hydroxyanaline; 2-Hydroxyaniline; 2-amino-phenol; 95-55-6; C.I. 76520; C.I. Oxidation Base 17; CI Oxidation Base 17; NSC 1534
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 109.13
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H7NO
IUPAC Name
2-aminophenol
Canonical SMILES
C1=CC=C(C(=C1)N)O
InChI
InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKey
CDAWCLOXVUBKRW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5801
ChEBI ID
CHEMBL18112
CAS Number
95-55-6
UNII
23RH73DZ65
DrugBank ID
DB01726
INTEDE ID
DR2038
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Sulfotransferase 1B1 (SULT1B1)
Main DME 		DED5UR3 ST1B1_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aldo-keto reductase family 1 member C2 (AKR1C2) OTQ2XMO3 AK1C2_HUMAN Gene/Protein Processing [2]
E3 ubiquitin-protein ligase RNF115 (RNF115) OT35B6L5 RN115_HUMAN Drug Response [3]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [2]
UDP-glucuronosyltransferase 2B11 OTVVH26D UDB11_HUMAN Biotransformations [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Comparison of 2-aminophenol and 4-nitrophenol as in vitro probe substrates for the major human hepatic sulfotransferase, SULT1A1, demonstrates improved selectivity with 2-aminophenol. Biochem Pharmacol. 2007 Jul 15;74(2):352-8.
2 A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells. Cutan Ocul Toxicol. 2010 Sep;29(3):171-92.
3 Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study. Environ Health Perspect. 2015 May;123(5):458-66. doi: 10.1289/ehp.1408775. Epub 2015 Jan 13.
4 cDNA cloning and expression of two new members of the human liver UDP-glucuronosyltransferase 2B subfamily. Biochem Biophys Res Commun. 1993 Jul 15;194(1):496-503.