Compound Detail
CHEMBL470503
COLUBRINIC ACID Enter ChEMBL ID:
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C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL470503 |
| Name | COLUBRINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLWJVQQNDGLXTK-IMBMMKFRSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
6.12
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 4.42 | 4.42 | 38000.0 | 2 |
| PANC-1 CHEMBL614139 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luc... | 18842418 |
| Zinc finger protein GLI1 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of Gli1-mediated transcription expressed in human PANC1 cells | 19309080 |
| PANC-1 | IC50 | = | 43000.0 | nM | 4.37 | Cytotoxicity against human PANC1 after 24 hrs by fluorometric microculture cytot... | 18842418 |
| DU-145 | IC50 | = | 78000.0 | nM | 4.11 | Cytotoxicity against human DU145 cells after 24 hrs by fluorometric microculture... | 18842418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18842418 | 10.1016/j.bmc.2008.09.053 | Zinc finger protein GLI1 | 7 |
| 18842418 | 10.1016/j.bmc.2008.09.053 | PANC-1 | 1 |
| 18842418 | 10.1016/j.bmc.2008.09.053 | DU-145 | 1 |
| 18842418 | 10.1016/j.bmc.2008.09.053 | ADMET | 1 |
| 19309080 | 10.1021/jm801420y | Zinc finger protein GLI1 | 1 |
Data from ChEMBL 36 via Core Engine