General
Preferred name
AKR1C3-IN-4
Synonyms
3-((4-(Trifluoromethyl)Phenyl)Amino)Benzoic Acid, 3-[(4-Trifluoromethylphenyl)Amino]Benzoic Acid ()
P&D ID
PD086021
CAS
1284180-11-5
Tags
available
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
281.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
4.15
TPSA
49.33
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
AKR1C3 inhibitor
Pathway
Metabolic Enzyme/Protease
Target
17β-HSD
Source data
