General
Preferred name
Acetyl-CoA Carboxylase-IN-1
Synonyms
ACC-IN-1 ()
6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine ()
P&D ID
PD004704
CAS
179343-23-8
Tags
available
drug candidate
Drug Status
experimental
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 Acetyl-CoA Carboxylase-IN-1 is a potent acetyl-CoA carboxylase (ACC) inhibitor with an IC50 value of £¼5 nM. Acetyl-CoA Carboxylase-IN-1 has antibacterial activity[1].
PRICE 81
DESCRIPTION Acetyl-CoA Carboxylase-IN-1 (ACC-IN-1) is an efficient inhibitor of acetyl-CoA carboxylase (ACC), with antibacterial activity, and can be applied in the study of metabolic diseases. (TargetMol Bioactive Compound Library)
Compound Sets
3
DrugBank
DB08144
MedChem Express Bioactive Compound Library
HY-152117
TargetMol Bioactive Compound Library
T72180
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
392.92
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
3.38
TPSA
90.71
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
ACC
acetyl-CoA carboxylase
Bacterial
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Source data