Compound Detail
CHEMBL5287429
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N#Cc1cccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2=NCCN23)c1
Basic Information
| ChEMBL ID | CHEMBL5287429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVOUCUCJXNWNGM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
3.75
ALogP
5
HBA
0
HBD
62.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUM-159-PT CHEMBL4483269 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUM-159-PT | IC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against human SUM159PT cells assessed as cell growth inhibition mea... | 33656892 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial | EC50 | = | 120.0 | nM | 6.92 | Agonist activity at human recombinant CLpP (57 to 277 amino acids) expressed in ... | 33656892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33656892 | 10.1021/acs.jmedchem.0c01640 | SUM-159-PT | 1 |
| 33656892 | 10.1021/acs.jmedchem.0c01640 | ATP-dependent Clp protease proteolytic subunit, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine