Compound Detail
CHEMBL47037
Combretastatin A-2 Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL47037 |
| Name | Combretastatin A-2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTVCXBVFGQEBAL-ARJAWSKDSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.31
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Paracentrotus lividus CHEMBL613240 | EC50 | 8.7 | 8.0 | 2.0 | 3 |
| NCI-H460 CHEMBL396 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| BMEC CHEMBL613880 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Paracentrotus lividus | EC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against Paracentrotus lividus embryo assessed as clea... | 20110137 |
| Paracentrotus lividus | EC50 | = | 10.0 | nM | 8.0 | Antimitotic activity against Paracentrotus lividus embryo assessed as cleavage a... | 20110137 |
| NCI-H460 | IC50 | = | 40.0 | nM | 7.4 | Cytotoxicity against human H460 cells by sulforhodamine B test | 18783207 |
| BMEC | IC50 | = | 48.0 | nM | 7.32 | Cytotoxicity against BMEC by sulforhodamine B test | 18783207 |
| Paracentrotus lividus | EC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against Paracentrotus lividus embryo assessed as embryo spinning af... | 20110137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570374 | 10.1021/jm020204l | Unchecked | 5 |
| 24388833 | 10.1016/j.ejmech.2013.12.006 | Paracentrotus lividus | 3 |
| 24387982 | 10.1016/j.bmc.2013.12.015 | Paracentrotus lividus | 3 |
| 21345676 | 10.1016/j.bmcl.2011.01.124 | Paracentrotus lividus | 3 |
| 21049975 | 10.1021/np1004278 | Paracentrotus lividus | 3 |
| 20110137 | 10.1016/j.ejmech.2009.12.072 | Paracentrotus lividus | 3 |
| 12570374 | 10.1021/jm020204l | MCF7 | 3 |
| 12570374 | 10.1021/jm020204l | Tubulin alpha chain | 2 |
| 18783207 | 10.1021/jm8005004 | BMEC | 1 |
| 18783207 | 10.1021/jm8005004 | HT-29 | 1 |
| 18783207 | 10.1021/jm8005004 | NCI-H460 | 1 |
| 19228038 | 10.1021/np800608c | MCF7 | 1 |
| 19228038 | 10.1021/np800608c | DU-145 | 1 |
| 19228038 | 10.1021/np800608c | KM-20L2 | 1 |
| 19228038 | 10.1021/np800608c | NCI-H460 | 1 |
| 19228038 | 10.1021/np800608c | BXPC-3 | 1 |
| 19228038 | 10.1021/np800608c | P388 | 1 |
| 19530698 | 10.1021/jm900321u | NON-PROTEIN TARGET | 1 |
| 7752190 | 10.1021/jm00010a011 | Panel (Carcinoma cell lines) | 1 |
| 12570374 | 10.1021/jm020204l | P388 | 1 |
Data from ChEMBL 36 via Core Engine