Compound Detail
CHEMBL5564786
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CC(=O)N1CCC(n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5564786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJIYNYPVUBPNRT-MHZLTWQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
6.03
ALogP
6
HBA
0
HBD
84.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.36 | 5.36 | 4361.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of p300/CBP (unknown origin) using histone H3 (1 to 21 residues) as s... | 38316017 |
| SK-HEP1 | IC50 | = | 4361.0 | nM | 5.36 | Antiproliferative activity against human SK-HEP1 cells assessed as inhibition of... | 38316017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38316017 | 10.1021/acs.jmedchem.3c01468 | SK-HEP1 | 3 |
| 38316017 | 10.1021/acs.jmedchem.3c01468 | Mus musculus | 2 |
| 38316017 | 10.1021/acs.jmedchem.3c01468 | Protein cereblon/Histone acetyltransferase p300 | 2 |
| 38316017 | 10.1021/acs.jmedchem.3c01468 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
| 38316017 | 10.1021/acs.jmedchem.3c01468 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine