Compound Detail
CHEMBL3946863
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O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCC(O)C3)CC2)cc1Oc1ccc2[nH]ccc2c1
Basic Information
| ChEMBL ID | CHEMBL3946863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMWVXOVFIWJKFO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
855.4
MW (Da)
7.60
ALogP
11
HBA
4
HBD
179.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL3309111 | Ki | 10.89 | 10.89 | 0.0 | 1 |
| Bcl-2-like protein 1 CHEMBL3309112 | Ki | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 0.013 | nM | 10.89 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
| Bcl-2-like protein 1 | Ki | = | 155.03 | nM | 6.81 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibi... | - |
Data from ChEMBL 36 via Core Engine