Compound Detail
CHEMBL440005
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O=C(Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2o1
Basic Information
| ChEMBL ID | CHEMBL440005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNJVCNKZOAKRMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.0
MW (Da)
7.15
ALogP
4
HBA
3
HBD
98.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 9.07 | 9.07 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.85 | nM | 9.07 | 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