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Compound Detail

CHEMBL1080778

CLINOPODIC ACID B
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COc1cc(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1080778
Name CLINOPODIC ACID B
Phase Preclinical
Structure Type MOL
InChI Key NFSDQICEPLDULQ-BBOMDTFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.06
ALogP
7
HBA
4
HBD
133.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18O8
MW 374.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.17

Literature References

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

Data from ChEMBL 36 via Core Engine