Compound Detail
CHEMBL3969380
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CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3)cc2[N+](=O)[O-])CC1
Basic Information
| ChEMBL ID | CHEMBL3969380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUAYTSRMACXMRF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
827.5
MW (Da)
8.45
ALogP
10
HBA
2
HBD
137.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL3309111 | Ki | 10.59 | 10.59 | 0.0 | 1 |
| Bcl-2-like protein 1 CHEMBL3309112 | Ki | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 0.026 | nM | 10.59 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
| Bcl-2-like protein 1 | Ki | = | 0.412 | nM | 9.38 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
Data from ChEMBL 36 via Core Engine