Compound Detail
CHEMBL5270900
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Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL5270900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJNQGWOQPRWRML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
746.3
MW (Da)
4.43
ALogP
12
HBA
4
HBD
170.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/DNA damage-binding protein 1 CHEMBL4630734 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/DNA damage-binding protein 1 | IC50 | = | 1.4 | nM | 8.85 | Displacement of Cy5-O-Len from 6His-tagged CRBN/DDB1 (unknown origin) incubated ... | 36793425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36793425 | 10.1021/acsmedchemlett.2c00436 | KOPTK1 | 2 |
| 36793425 | 10.1021/acsmedchemlett.2c00436 | ADMET | 2 |
| 36793425 | 10.1021/acsmedchemlett.2c00436 | Protein cereblon/DNA damage-binding protein 1 | 1 |
| 36793425 | 10.1021/acsmedchemlett.2c00436 | Tyrosine-protein kinase Lck | 1 |
| 36793425 | 10.1021/acsmedchemlett.2c00436 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine