Compound Detail
CHEMBL1086842
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Basic Information
| ChEMBL ID | CHEMBL1086842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFMMASBZIJFKBE-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.72
ALogP
10
HBA
2
HBD
107.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.7
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Paracentrotus lividus CHEMBL613240 | EC50 | 8.7 | 8.0 | 2.0 | 3 |
| A549 CHEMBL392 | IC50 | 7.27 | 7.27 | 53.5 | 1 |
| A549 CHEMBL392 | EC50 | 7.2 | 7.2 | 63.0 | 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 | = | 5.0 | nM | 8.3 | Antimitotic activity against Paracentrotus lividus embryo assessed as cleavage a... | 20110137 |
| A549 | IC50 | = | 53.5 | nM | 7.27 | Cytotoxicity against human A549 cells after 24 hrs by MTT assay | 20110137 |
| A549 | EC50 | = | 63.0 | nM | 7.2 | Cell cycle arrest in human A549 cells assessed as accumulation at G2/M phase aft... | 20110137 |
| Paracentrotus lividus | EC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against Paracentrotus lividus embryo assessed as embryo spinning af... | 20110137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20110137 | 10.1016/j.ejmech.2009.12.072 | A549 | 4 |
| 20110137 | 10.1016/j.ejmech.2009.12.072 | Paracentrotus lividus | 3 |
| 20110137 | 10.1016/j.ejmech.2009.12.072 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine