Compound Detail
CHEMBL5999151
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CCc1cnc(NC[C@@H]2[C@H](CC)CCCN2C(=O)c2nc(C)sc2-c2ccc(F)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL5999151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDKZGXUUHRVDAZ-WIYYLYMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.35
ALogP
6
HBA
1
HBD
71.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 2.0 | nM | 8.7 | Cell-based Functional Assay: Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CH... | - |
Data from ChEMBL 36 via Core Engine