Compound Detail
CHEMBL5892473
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)Oc2ccc(C(CN)C(=O)Nc3ccc(-c4cn[nH]c4)cc3)cc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL5892473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYHASVYMFXQHIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.59
ALogP
5
HBA
3
HBD
110.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 550.0 | nM | 6.26 | In Vitro Effect Assay: Table 2: Inhibitory effect of each compound synthesized a... | - |
Data from ChEMBL 36 via Core Engine