Compound Detail
CHEMBL5875995
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Cc1nn(-c2cccc(COc3cc(OCc4cncc(C#N)c4)c(CN[C@](C)(CO)C(=O)O)cc3Cl)c2C)c(C)c1CN1CC[C@@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL5875995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWUOFFRBBLJGJC-JQMWFGOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
689.2
MW (Da)
4.37
ALogP
11
HBA
4
HBD
166.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay: The interaction of P... | - |
Data from ChEMBL 36 via Core Engine