General
Preferred name
malonyl-CoA
Synonyms
Malonyl CoA (lithium) ()
Malonyl Coenzyme A (lithium) ()
Malonyl Coenzyme A (lithium salt) ()
MALONYL-COENZYME A ()
P&D ID
PD046607
CAS
108347-84-8
Tags
available
drug candidate
Drug Status
experimental
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
8
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
853.12
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
10
Rotatable Bonds
21
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.86
TPSA
400.93
Fraction CSP3
0.62
Chiral centers
7.0
Largest ring
6.0
QED
0.04
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Mitochondrial Metabolism
Pathway
Metabolic Enzyme/Protease
Source data
