Compound Detail
CHEMBL3905470
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O=C(NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)s1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3905470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRTHUPJFPVYYBY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
680.2
MW (Da)
6.41
ALogP
9
HBA
1
HBD
116.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 6.57 | 6.57 | 269.2 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.57 | 6.57 | 269.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | Ki | = | 269.18 | nM | 6.57 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Representa... | - |
| Apoptosis regulator Bcl-2 | Ki | = | 269.18 | nM | 6.57 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Representa... | - |
Data from ChEMBL 36 via Core Engine