General
Preferred name
BENZO[a]PYRENE
Synonyms
3,4-Benzopyrene ()
Benzo(a)pyrene ()
BENZO[DEF]CHRYSENE ()
Benzo[A]-Pyrene ()
Benzo[A]Pyrene ()
P&D ID
PD001944
CAS
192-97-2
42299-33-2
34505-58-3
50-32-8
6699-27-0
Tags
available
drug candidate
Drug indication
Environmental exposure
Drug Status
investigational
Max Phase
0.5
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
Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies.
PRICE
29
DESCRIPTION
Benzo[a]pyrene (3,4-Benzopyrene) shows lung carcinogenicity in mice in a dose-dependent manner.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
DrugMAP
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
NURSA ligand set
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Molecular Weight
252.09
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
5
cLogP
5.74
TPSA
0.0
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
