Compound Detail
CHEMBL1940087
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Basic Information
| ChEMBL ID | CHEMBL1940087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHLPAFSZLXIOKQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
5.38
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.4233 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human CRL2813 cells after 5 days by SRB assay | 22153346 |
| NON-PROTEIN TARGET | IC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against human CRL2351 cells after 5 days by SRB assay | 22153346 |
| NON-PROTEIN TARGET | IC50 | = | 15700.0 | nM | 4.8 | Antiproliferative activity against mouse KLN205 cells after 5 days by SRB assay | 22153346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153346 | 10.1016/j.bmcl.2011.10.126 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine