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Compound Detail

CHEMBL14021

PROPIONIC ACID
🧪 Phase II
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🧪 Phase II

Basic Information

ChEMBL ID CHEMBL14021
Name PROPIONIC ACID
Phase Phase II
Structure Type MOL
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N

Known Names

Antischim b E-280 E280 Ethanecarboxylic acid FEMA NO. 2924 INS NO.280 INS-280 Luprosil Metacetonic acid Propanoic acid Propionate Propionic acid
1
Targets
12
Activities
3
Assay Types
0
PK Parameters
20
Publications
12
Known Names

Molecular Properties

74.1
MW (Da)
0.48
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C3H6O2
MW 74.08
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness 0.28

Activity Summary

EC50 6 meas. best 4.97
Ki 4 meas.
IC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 3
CHEMBL5201
EC50 4.97 4.94 10715.2 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3599019 10.1021/jm00390a002 No relevant target 6
21903399 10.1016/j.bmc.2011.08.023 Unchecked 4
21903399 10.1016/j.bmc.2011.08.023 RAW264.7 3
20005104 10.1016/j.bmcl.2009.11.112 Free fatty acid receptor 2 2
894678 10.1021/jm00218a017 No relevant target 2
32141297 10.1021/acs.jmedchem.9b02036 Free fatty acid receptor 3 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
21903399 10.1016/j.bmc.2011.08.023 DNA polymerase kappa 2
21903399 10.1016/j.bmc.2011.08.023 DNA polymerase lambda 2
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 20 2
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 6 2
10560743 10.1016/s0960-894x(99)00547-8 K562 2
19520580 10.1016/j.bmc.2009.05.042 Histone deacetylase 1
9873584 10.1016/s0960-894x(98)00460-0 Candida albicans 1
19465932 10.1038/nchembio.179 Mus musculus 1
21903399 10.1016/j.bmc.2011.08.023 HCT-116 1
38641152 10.1016/j.bmcl.2024.129758 Free fatty acid receptor 2 1
21903399 10.1016/j.bmc.2011.08.023 Mus musculus 1
17553798 10.1074/jbc.m703467200 Unchecked 1
15857133 10.1021/jm048980b No relevant target 1

Data from ChEMBL 36 via Core Engine