Compound Detail
CHEMBL1087349
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Basic Information
| ChEMBL ID | CHEMBL1087349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDODXHIHBXLMFI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.22
ALogP
8
HBA
2
HBD
94.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.3
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Paracentrotus lividus CHEMBL613240 | EC50 | 9.3 | 8.7667 | 0.5 | 3 |
| A-431 CHEMBL614069 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Paracentrotus lividus | EC50 | = | 0.5 | nM | 9.3 | Antiproliferative activity against Paracentrotus lividus embryo assessed as clea... | 20110137 |
| Paracentrotus lividus | EC50 | = | 2.0 | nM | 8.7 | Antimitotic activity against Paracentrotus lividus embryo assessed as cleavage a... | 20110137 |
| Paracentrotus lividus | EC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against Paracentrotus lividus embryo assessed as embryo spinning af... | 20110137 |
| A-431 | EC50 | = | 620.0 | nM | 6.21 | Cell cycle arrest in human A431 cells assessed as accumulation at G2/M phase aft... | 24900236 |
| Unchecked | IC50 | = | 690.0 | nM | 6.16 | Inhibition of bovine tubulin polymerization after 30 mins by turbidity assay | 24900236 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin pep... | 24900236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20110137 | 10.1016/j.ejmech.2009.12.072 | Paracentrotus lividus | 3 |
| 24900236 | 10.1021/ml1001568 | Vascular endothelial growth factor receptor 2 | 2 |
| 24900236 | 10.1021/ml1001568 | Unchecked | 1 |
| 24900236 | 10.1021/ml1001568 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine