General
Preferred name
ANILINE
Synonyms
Benzenamine ()
Aminobenzen ()
Aniline (hydrochloride) ()
Aniline-13C6 ()
Aniline-d5 ()
P&D ID
PD006367
CAS
4165-61-1
146997-94-6
62-53-3
142-04-1
100849-37-4
Tags
available
drug candidate
nuisance
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Aniline inhibits human Cytochrome P450 2E1 (Km = 15 µM). Aniline is used in the manufacture of dyes, medicinals, resins, varnishes, perfumes, as a vulcanizing rubber or even as a solvent.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
71
Molecular Weight
93.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
1.27
TPSA
26.02
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
1
Redox
Redox cycling
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
MOA
Endogenous Metabolite
Target
Human Endogenous Metabolite
Source data
