Compound Detail
CHEMBL3287292
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Basic Information
| ChEMBL ID | CHEMBL3287292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYOWVJPNKQIXMM-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.20
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Kd 1 meas. best 7.42
Ki 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | Kd | 7.42 | 7.42 | 38.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 6.79 | 6.79 | 164.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| MEF CHEMBL614342 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.2 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 60.0 | % | Rattus norvegicus |
| T1/2 | 8.3 | hr | Rattus norvegicus |
| T1/2 | 1512.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | Kd | = | 38.0 | nM | 7.42 | Binding affinity to GST-tagged Bcl-Xl (unknown origin) by surface plasmon resona... | 24944740 |
| Bcl-2-like protein 1 | Ki | = | 164.0 | nM | 6.79 | Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unkn... | 33062160 |
| Bcl-2-like protein 1 | IC50 | = | 270.0 | nM | 6.57 | Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by... | 24944740 |
| MEF | IC50 | = | 2400.0 | nM | 5.62 | Induction of apoptosis in mouse mcl-1 deficient MEF cells assessed as cytochrome... | 24944740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24944740 | 10.1021/ml500030p | Rattus norvegicus | 4 |
| 24944740 | 10.1021/ml500030p | Bcl-2-like protein 1 | 2 |
| 24944740 | 10.1021/ml500030p | MEF | 1 |
| 24944740 | 10.1021/ml500030p | Apoptosis regulator Bcl-2 | 1 |
| 24944740 | 10.1021/ml500030p | Bcl-2-like protein 2 | 1 |
| 24944740 | 10.1021/ml500030p | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 33062160 | 10.1021/acsmedchemlett.9b00568 | Bcl-2-like protein 1 | 1 |
| 33062160 | 10.1021/acsmedchemlett.9b00568 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine