General
Preferred name
PhIP
Synonyms
2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE ()
2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine ()
2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE ()
P&D ID
PD004436
CAS
105650-23-5
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
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
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) is a food-derived carcinogen that is found in high temperature-cooked fish and meat. In humans, PhIP is metabolized by the cytochrome (CYP) P450 isoform CYP1A2 and conjugated by N-acetyltransferase or sulfotransferase to a metabolite that reacts with DNA to form adducts, which are directly correlated with increased risk of breast, colon, and prostate cancers.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Molecular Weight
224.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.22
TPSA
56.73
Fraction CSP3
0.08
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
