Compound Detail
CHEMBL5759407
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O=C(Nc1nnc(CCc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5759407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQCZDURPEYNVQG-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.1
MW (Da)
4.95
ALogP
6
HBA
1
HBD
78.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 1.0 | nM | 9.0 | Quanta Red Assay: Measuring ATX activity using an enzyme coupled Quanta Red assa... | - |
Data from ChEMBL 36 via Core Engine