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Compound Detail

CHEMBL376892

VALENCIC ACID
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CC(C)=CCOc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376892
Name VALENCIC ACID
Phase Preclinical
Structure Type MOL
InChI Key KLZJDQVTNOMAKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
2.73
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H14O3
MW 206.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
22472691 10.1016/j.bmcl.2012.03.057 Bile acid receptor 8
21696954 10.1016/j.bmcl.2011.05.089 NON-PROTEIN TARGET 4
23566521 10.1016/j.bmcl.2013.03.050 RAW264.7 2
16945527 10.1016/j.bmcl.2006.08.043 Helicobacter pylori 1
18564877 10.1021/np700719e Mycobacterium tuberculosis 1
21696954 10.1016/j.bmcl.2011.05.089 A549 1
21696954 10.1016/j.bmcl.2011.05.089 PC-3 1
21696954 10.1016/j.bmcl.2011.05.089 SK-MEL-28 1
21696954 10.1016/j.bmcl.2011.05.089 LoVo 1

Data from ChEMBL 36 via Core Engine