Compound Detail
CHEMBL5394656
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Cc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCc1c(C(=O)[O-])n(C)c3c-2c(Cl)ccc13.[Na+]
Basic Information
| ChEMBL ID | CHEMBL5394656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKRWGDTVBXIUNX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5498731 |
| Active Moiety | CHEMBL5498731 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
654.2
MW (Da)
7.67
ALogP
8
HBA
1
HBD
87.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 10.49 | 10.49 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 0.032 | nM | 10.49 | Displacement of Cy5-labeled BIM BH3 peptide (H3N-(C/Cy5Mal)-WIAQELRRIGDEFN-OH) f... | 37465311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465311 | 10.1021/acsmedchemlett.3c00141 | No relevant target | 2 |
| 37465311 | 10.1021/acsmedchemlett.3c00141 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 37465311 | 10.1021/acsmedchemlett.3c00141 | MOLP-8 | 1 |
| 37465311 | 10.1021/acsmedchemlett.3c00141 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine