Compound Detail
CHEMBL2430163
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
Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCNC3)cc2cn[nH]c12
Basic Information
| ChEMBL ID | CHEMBL2430163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STJBKZREPWJSHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
4.31
ALogP
7
HBA
3
HBD
120.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 8.54 | 8.535 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 2.9 | nM | 8.54 | Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells asse... | 23993336 |
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 2.95 | nM | 8.53 | Radioligand Binding Assay: The compounds of invention were solubilized and carri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993336 | 10.1016/j.bmcl.2013.08.031 | Liver microsomes | 2 |
| 23993336 | 10.1016/j.bmcl.2013.08.031 | Liver | 1 |
| 23993336 | 10.1016/j.bmcl.2013.08.031 | Calcitonin gene-related peptide type 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine