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Compound Detail

CHEMBL1079231

CLINOPODIC ACID A
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O=C(/C=C/c1ccc(O)cc1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079231
Name CLINOPODIC ACID A
Phase Preclinical
Structure Type MOL
InChI Key KIMHJUCTTIEANQ-KZJSRBBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
2.06
ALogP
6
HBA
4
HBD
124.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O7
MW 344.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.23

Literature References

PubMed DOI Target Context # Activities
19711986 10.1021/np800781t 72 kDa type IV collagenase 1

Data from ChEMBL 36 via Core Engine