Compound Detail
CHEMBL2152767
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O=C1Nc2cccc3c4c(cc(c23)O1)N(C(=O)c1cc2cc(NC(=O)c3cc5ccccc5[nH]3)ccc2[nH]1)C[C@@H]4CCl
Basic Information
| ChEMBL ID | CHEMBL2152767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKEUENFCQUDZKR-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.0
MW (Da)
6.96
ALogP
4
HBA
4
HBD
119.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 40.0 | nM | 7.4 | Cytotoxicity against mouse L1210 cells | 22650244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22650244 | 10.1021/jm300330b | L1210 | 1 |
Data from ChEMBL 36 via Core Engine