Compound Detail
CHEMBL246845
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
COc1cc2c(cc1OC(=O)NCCN1CCCC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
Basic Information
| ChEMBL ID | CHEMBL246845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBSDCFRNXNBDJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.21
ALogP
6
HBA
3
HBD
99.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Chk1 | 17544271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544271 | 10.1016/j.bmcl.2007.05.027 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine