Compound Detail
CHEMBL5620148
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COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)CC3)cc2)N1C(=O)CCl
Basic Information
| ChEMBL ID | CHEMBL5620148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGBWDHDMOGRRS-MCUPDQMJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
770.4
MW (Da)
6.46
ALogP
6
HBA
2
HBD
115.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 30.0 | nM | 7.52 | Antiproliferative activity against human HT-1080 cells assessed as inhibition of... | 39094276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39094276 | 10.1016/j.ejmech.2024.116719 | Unchecked | 2 |
| 39094276 | 10.1016/j.ejmech.2024.116719 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine