Compound Detail
CHEMBL1080779
CLINOPODIC ACID C Enter ChEMBL ID:
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O=C(/C=C/c1ccc2c(c1)O[C@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1080779 |
| Name | CLINOPODIC ACID C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPKHMGUZUPELJC-RXYMDKBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
2.73
ALogP
10
HBA
6
HBD
200.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL1075175 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 3260.0 | nM | 5.49 | Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 min... | 19711986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19711986 | 10.1021/np800781t | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine