General
Preferred name
undecanoic acid
Synonyms
Undecylic acid ()
Hendecanoic acid ()
UNDECANOATE ()
NSC-7885 ()
N-undecanoic acid ()
N-undecylic acid ()
FEMA NO. 3245 ()
N-undecoic acid ()
P&D ID
PD048355
CAS
112-37-8
Tags
natural product
drug candidate
available
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()] ]]
Compound Sets
12
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
Guide to Pharmacology
5533
MedChem Express Bioactive Compound Library
HY-W004282
Selleckchem Bioactive Compound Library
undecanoic-acid
TargetMol Bioactive Compound Library
T3948
External IDs
34
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
Anti-infection
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Fungal
Source data