Compound Detail
CHEMBL3898794
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CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL3898794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABOHBKNCAMQYLH-QIDJRYDTSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.1
MW (Da)
3.36
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 0.1 | nM | 10.0 | Displacement of [125I]-Ghrelin from human GSHR1a transfected in HEK293 cell memb... | - |
| Growth hormone secretagogue receptor type 1 | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human GSHR1a transfected in CHOK1 cells co-expressing Galpha... | - |
Data from ChEMBL 36 via Core Engine