Compound Detail
CHEMBL1927602
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Basic Information
| ChEMBL ID | CHEMBL1927602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWNKUQUJBEKJB-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.38
ALogP
9
HBA
2
HBD
108.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 7.77 | 7.76 | 17.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Tubulin CHEMBL2111354 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 11.8 | nM | 7.93 | Antivascular activity against HUVEC cells assessed as cell growth inhibition mea... | 22304851 |
| SK-OV-3 | IC50 | = | 17.0 | nM | 7.77 | Cytotoxicity against human SKOV3 cells after 48 hrs by MTS assay | 22304851 |
| SK-OV-3 | IC50 | = | 17.8 | nM | 7.75 | Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay | 22304851 |
| HT-29 | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human HT-29 cells by alamar blue assay | 22137934 |
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of angiogenesis in endothelial cells assessed as inhibition of tube f... | 22137934 |
| NCI-H460 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human NCI-H460 cells by alamar blue assay | 22137934 |
| Tubulin | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of porcine brain tubulin polymerization after 60 mins | 22137934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22304851 | 10.1016/j.bmc.2012.01.010 | SK-OV-3 | 5 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | MCF7 | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | NCI-H460 | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | HT-29 | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | CCRF-CEM | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | ADMET | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | Unchecked | 1 |
| 22137934 | 10.1016/j.bmc.2011.11.010 | Tubulin | 1 |
| 22304851 | 10.1016/j.bmc.2012.01.010 | Unchecked | 1 |
| 22304851 | 10.1016/j.bmc.2012.01.010 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine