Compound Detail
CHEMBL1202062
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Basic Information
| ChEMBL ID | CHEMBL1202062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNMAJSOCKJCOFY-HPWSIQSTSA-N |
| Parent Compound | CHEMBL500809 |
| Active Moiety | CHEMBL500809 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
842.8
MW (Da)
-1.61
ALogP
18
HBA
6
HBD
279.2
PSA (Ų)
0.10
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.3 | 6.025 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human HL60 cells assessed as inhibition of [3... | 11754601 |
| HL-60 | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human HL60 cells assessed as loss of membrane integrity aft... | 11754601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754601 | 10.1021/np010212p | HL-60 | 4 |
Data from ChEMBL 36 via Core Engine