Compound Detail
CHEMBL2070701
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Basic Information
| ChEMBL ID | CHEMBL2070701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDRQASVQPWAVFV-YDALLXLXSA-N |
| Parent Compound | CHEMBL516784 |
| Active Moiety | CHEMBL516784 |
1
Targets
3
Activities
2
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.53
ALogP
4
HBA
4
HBD
96.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | EC50 | 7.52 | 6.87 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 543.64 | ng.hr.mL-1 | Mus musculus |
| CL | 81.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant CHK1 expressed in insect cells using biotinylami... | 22551018 |
| Serine/threonine-protein kinase Chk1 | EC50 | = | 30.0 | nM | 7.52 | Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin in... | 22551018 |
| Serine/threonine-protein kinase Chk1 | EC50 | = | 600.0 | nM | 6.22 | Inhibition of CHK1 in human HT29 cells assessed as check point abrogation | 22551018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22551018 | 10.1021/jm300025r | Mus musculus | 4 |
| 22551018 | 10.1021/jm300025r | Serine/threonine-protein kinase Chk1 | 3 |
Data from ChEMBL 36 via Core Engine