Compound Detail
CHEMBL4763441
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@@H]4C3=O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4763441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITUNJPYETJCQPB-CTOYSFNJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.35
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 5.11 | 5.11 | 7762.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.97 | 4.97 | 10715.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 7762.47 | nM | 5.11 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells... | 32977721 |
| Unchecked | Ki | = | 10715.19 | nM | 4.97 | Displacement of [3H]-EMPA from human orexin 2 receptor expressed in CHO cells in... | 32977721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32977721 | 10.1021/acs.jmedchem.0c00964 | Orexin/Hypocretin receptor type 1 | 2 |
| 32977721 | 10.1021/acs.jmedchem.0c00964 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine