Compound Detail
CHEMBL3954629
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Cc1nc(OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)sc1S(=O)(=O)NC(=O)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)cc1Oc1cccc2[nH]cnc12
Basic Information
| ChEMBL ID | CHEMBL3954629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWUMPGBQMSMYOF-DHUJRADRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
946.6
MW (Da)
8.69
ALogP
13
HBA
2
HBD
168.5
PSA (Ų)
0.12
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 7.61 | 7.61 | 24.8 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 7.61 | 7.61 | 24.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | Ki | = | 24.78 | nM | 7.61 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Representa... | - |
| Apoptosis regulator Bcl-2 | Ki | = | 24.78 | nM | 7.61 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Representa... | - |
Data from ChEMBL 36 via Core Engine