Compound Detail
CHEMBL3680716
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
Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N)CC4)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3680716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWSDYEQLYJBVDN-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
2.43
ALogP
9
HBA
3
HBD
140.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.17 | 9.065 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.67 | nM | 9.17 | IMAP Assay: This assay is performed using FAM S6 substrate peptide (Catalogue #R... | - |
| Rho-associated protein kinase 2 | IC50 | = | 1.1 | nM | 8.96 | Luciferin-Luciferase Assay: The activity of ROCKII (1-543) kinase is measured ut... | - |
Data from ChEMBL 36 via Core Engine