Compound Detail
CHEMBL5781964
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
CC(=O)N(CC(F)(F)F)[C@@H](C)[C@H]1CC[C@@H](c2cccc(Cl)c2)N1C(=O)[C@@H](C)NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)n1
Basic Information
| ChEMBL ID | CHEMBL5781964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHPPRCJHNGWFOR-VCWUMBODSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
663.1
MW (Da)
4.88
ALogP
7
HBA
2
HBD
137.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | Ki | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 0.03 | nM | 10.52 | Determination of Binding Affinity for CGRP Receptor by Radioligand Binding Assay... | - |
| Calcitonin gene-related peptide type 1 receptor | Ki | = | 0.05 | nM | 10.3 | Determination of Binding Affinity for CGRP Receptor by Radioligand Binding Assay... | - |
Data from ChEMBL 36 via Core Engine