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
CDAWCLOXVUBKRW-UHFFFAOYSA-N
InChIKey
1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
Cross-matching ID
PubChem CID
5801
ChEBI ID
CHEBI:18112
CAS Number
95-55-6
DrugBank ID
DB01726
INTEDE ID
DR2038

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]
Cytochrome P450 1A1 (CYP1A1) OTE4EFH8 CP1A1_HUMAN Gene/Protein Processing [2]
E3 ubiquitin-protein ligase RNF115 (RNF115) OT35B6L5 RN115_HUMAN Drug Response [3]
Glucocorticoid receptor (NR3C1) OTCI2YDI GCR_HUMAN Drug Response [3]
Heme oxygenase 1 (HMOX1) OTC1W6UX HMOX1_HUMAN Gene/Protein Processing [2]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [2]
NAD(P)H dehydrogenase 1 (NQO1) OTZGGIVK NQO1_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.