Compound Detail
CHEMBL1276147
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CC(C)(C)C(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL1276147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJLZDOJCPMZQAP-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.1
MW (Da)
7.49
ALogP
4
HBA
4
HBD
119.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3.5 | nM | 8.46 | Cytotoxicity against mouse L1210 cells | 20942408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20942408 | 10.1021/jm1010397 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine