General
Preferred name
undecanoic acid
Synonyms
Hendecanoic acid ()
Undecylic acid ()
UNDECANOATE ()
N-undecoic acid ()
N-undecylic acid ()
NSC-7885 ()
FEMA NO. 3245 ()
N-undecanoic acid ()
P&D ID
PD048355
CAS
112-37-8
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
3.0
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 Undecanoic acid (Undecanoate) is a monocarboxylic acid with antifungal property. Undecanoic acid inhibits the production of exocellular keratinase, lipase and the biosynthesis of several phospholipids in T. rubrum[1][2].
PRICE 29
DESCRIPTION Undecanoic acid is a monocarboxylic acid with antimycotic property. It is also an agonist of GPR84 (Ki= 108 nM). (Enamine Bioactive Compounds)
DESCRIPTION Undecanoic acid (Hendecanoic acid) is a monocarboxylic acid with antimycotic property. Undecanoic acid inhibits the production of exocellular keratinase, lipase and the biosynthesis of several phospholipids in T. rubrum. (TargetMol Bioactive Compound Library)
Compound Sets
13
Cayman Chemical Bioactives
19721
ChEMBL Drugs
CHEMBL108030
Concise Guide to Pharmacology 2017/18
5533
Concise Guide to Pharmacology 2019/20
5533
Concise Guide to Pharmacology 2021/22
5533
Concise Guide to Pharmacology 2023/24
5533
DrugBank
DB16857
DrugMAP
DMFOIPL
Enamine Bioactive Compounds
EBC-46127
Guide to Pharmacology
5533
MedChem Express Bioactive Compound Library
HY-W004282
Selleckchem Bioactive Compound Library
undecanoic-acid
TargetMol Bioactive Compound Library
T3948
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
186.16
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
9
Ring Count
0
Aromatic Ring Count
0
cLogP
3.6
TPSA
37.3
Fraction CSP3
0.91
Chiral centers
0.0
Largest ring
0.0
QED
0.56
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Microbiology/virology
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Fungal
Source data