Compound Detail
CHEMBL2158595
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Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL2158595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PANFWPQOVGEWSD-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
6.33
ALogP
4
HBA
5
HBD
127.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 0.03 | nM | 10.52 | Cytotoxicity against human HL60 cells assessed as cell survival after 72 hrs by ... | 22148292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148292 | 10.1021/jm201284m | COLO 205 | 1 |
| 22148292 | 10.1021/jm201284m | Ramos | 1 |
| 22148292 | 10.1021/jm201284m | HL-60 | 1 |
| 22148292 | 10.1021/jm201284m | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine