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
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION PhIP (2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine) is the most abundant of generation of heterocyclic amines (HCA), resulted in the cooking of meat[1][2]. DNA damaging and mutagenic activities. PhIP also has oestrogenic activity that could contribute to its tissue specific carcinogenicity[2].
PRICE 312
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)
DESCRIPTION PhIP is a heterocyclic aromatic amine (HAA) from cooked meat. It belongs to pyridine heterocyclic amine and is a 2B carcinogen with estrogen activity. PhIP forms adducts with DNA that promote cancer. (TargetMol Bioactive Compound Library)
Compound Sets
6
BOC Sciences Bioactive Compounds
2-amino-1-methyl-6-phenylimidazo-4-5-b-pyridine-cas-105650-23-5-item-159837
Cayman Chemical Bioactives
22590
DrugBank
DB08398
DrugMAP
DMNQL17
MedChem Express Bioactive Compound Library
HY-118716
TargetMol Bioactive Compound Library
T16525
External IDs
28
Properties
(calculated by RDKit )
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
Custom attributes
(extracted from source data)
Source data