Compound Detail
CHEMBL5202460
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CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCc3ccccc3)ccn12
Basic Information
| ChEMBL ID | CHEMBL5202460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHXHXVHMTAGHRQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
5.01
ALogP
7
HBA
2
HBD
97.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP C4-2B CHEMBL4296461 | IC50 | 4.3 | 4.3 | 49690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP C4-2B | IC50 | = | 49690.0 | nM | 4.3 | Antiproliferative activity against human LNCaP C4-2B cells assessed as inhibitio... | 34962793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34962793 | 10.1021/acs.jmedchem.1c01864 | CREB-binding protein | 3 |
| 34962793 | 10.1021/acs.jmedchem.1c01864 | LNCaP C4-2B | 1 |
Data from ChEMBL 36 via Core Engine