Compound Detail
CHEMBL346043
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CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL346043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDZKFTGHHAHELU-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
593.0
MW (Da)
6.97
ALogP
5
HBA
4
HBD
127.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.65 | nM | 9.19 | Compound was tested in vitro against L1210 leukemia cells | 12570384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570384 | 10.1021/jm0203433 | Mus musculus | 11 |
| 12570384 | 10.1021/jm0203433 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine