Compound Detail
CHEMBL3648335
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
C=S(N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccccc43)n2)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL3648335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVDGEUVTSFHQLU-LXAPUOBYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
1.68
ALogP
9
HBA
2
HBD
120.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 7.4 | 7.335 | 39.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 39.77 | nM | 7.4 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
| Serine/threonine-protein kinase ATR | IC50 | = | 53.61 | nM | 7.27 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
Data from ChEMBL 36 via Core Engine