Compound Detail
CHEMBL5433157
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CCN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL5433157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQFTYEXWOOUGDI-WLOLSGMKSA-N |
| Parent Compound | CHEMBL5499773 |
| Active Moiety | CHEMBL5499773 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
3.48
ALogP
6
HBA
2
HBD
111.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TP53-binding protein 1 CHEMBL2424509 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TP53-binding protein 1 | IC50 | = | 1400.0 | nM | 5.85 | Displacement of Biotin-p53K381acK382me2 from N-terminal his6-tagged 53BP1 (1484 ... | 37782247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37782247 | 10.1021/acs.jmedchem.3c01192 | TP53-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine