Compound Detail
CHEMBL3964351
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CN(C)CCOc1cccc(-c2ccc(Cl)cc2)c1CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C5CCOCC5)CC4)c([N+](=O)[O-])c3)c(Oc3cccc4[nH]ccc34)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3964351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFQKRPNAEIVIFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
991.6
MW (Da)
8.63
ALogP
13
HBA
3
HBD
174.8
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL3309111 | Ki | 10.85 | 10.85 | 0.0 | 1 |
| Bcl-2-like protein 1 CHEMBL3309112 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 0.014 | nM | 10.85 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
| Bcl-2-like protein 1 | Ki | = | 5.231 | nM | 8.28 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
Data from ChEMBL 36 via Core Engine