Compound Detail
CHEMBL2035835
CLAULANSINE F Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2035835 |
| Name | CLAULANSINE F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBWFLAHUWCLAKK-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.33
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 4.26 | 4.26 | 54700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.25 | 4.25 | 56400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against HEK293 cells assessed as cell growth inhibition measured af... | 30772606 |
| MDA-MB-231 | IC50 | = | 2600.0 | nM | 5.58 | Anticancer activity against human MDA-MB-231 cells assessed as cell growth inhib... | 30772606 |
| MCF7 | IC50 | = | 3900.0 | nM | 5.41 | Anticancer activity against human MCF7 cells assessed as cell growth inhibition ... | 30772606 |
| HepG2 | IC50 | = | 33300.0 | nM | 4.48 | Anticancer activity against human HepG2 cells assessed as cell growth inhibition... | 30772606 |
| DLD-1 | IC50 | = | 54700.0 | nM | 4.26 | Anticancer activity against human DLD-1 cells assessed as cell growth inhibition... | 30772606 |
| PC-3 | IC50 | = | 56400.0 | nM | 4.25 | Anticancer activity against human PC-3 cells assessed as cell growth inhibition ... | 30772606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22372931 | 10.1021/np200919a | PC-12 | 3 |
| 29202406 | 10.1016/j.ejmech.2017.11.084 | PC-12 | 2 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | MCF7 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | MDA-MB-231 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | DU-145 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | PC-3 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | HepG2 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | DLD-1 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | A549 | 1 |
| 30772606 | 10.1016/j.ejmech.2019.02.003 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine