Compound Detail
CHEMBL3216600
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CCCC[C@H](CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC[C@@H](CC)CCCC.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL3216600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRJJFBHTDVWTCJ-IXOXMDGESA-N |
| Parent Compound | CHEMBL1551683 |
| Active Moiety | CHEMBL1551683 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.8
MW (Da)
4.26
ALogP
4
HBA
10
HBD
167.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-xL/BAK CHEMBL3137283 | IC50 | 4.59 | 4.59 | 25700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-xL/BAK | IC50 | = | 25700.0 | nM | 4.59 | Inhibition of Bcl-xL (1 to 206, delta 45 to 84)-BAK (unknown origin) protein int... | 24145136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24145136 | 10.1016/j.bmc.2013.09.057 | Bcl-xL/BAK | 1 |
Data from ChEMBL 36 via Core Engine