Compound Detail
CHEMBL1725121
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O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1725121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAELHCQHHHCRMH-NKSZJYEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
4.76
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 37798.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 37798.0 | nM | 4.42 | PubChem BioAssay. Dose response counterscreen for inhibitors of viability of lat... | - |
Data from ChEMBL 36 via Core Engine