Compound Detail
CHEMBL3793424
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Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL3793424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCQQONWEDCOTBV-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
12
PK Parameters
20
Publications
0
Known Names
Molecular Properties
658.8
MW (Da)
7.59
ALogP
8
HBA
2
HBD
113.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.4
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 2 CHEMBL4677 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 8.22 | 8.2167 | 6.0 | 3 |
| MOLT-4 CHEMBL614177 | EC50 | 8.22 | 8.21 | 6.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.85 | 6.85 | 142.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 62522.97 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8235.38 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 22729.64 | ng.hr.mL-1 | Mus musculus |
| AUC | 2510.14 | ng.hr.mL-1 | Mus musculus |
| CL | 1.333 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.667 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1970.0 | nM | Rattus norvegicus |
| Cmax | 1460.0 | nM | Mus musculus |
| F | 13.0 | % | Rattus norvegicus |
| F | 11.0 | % | Mus musculus |
| T1/2 | 3.9 | hr | Rattus norvegicus |
| T1/2 | 2.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine