Compound Detail
CHEMBL396377
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Basic Information
| ChEMBL ID | CHEMBL396377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWSGFSPSQGXVFI-XFFZJAGNSA-N |
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Ki 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.89 | 5.694 | 1280.0 | 5 |
| Protein kinase C delta type CHEMBL2996 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| SJSA-1 CHEMBL2366298 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 80.0 | nM | 7.1 | Inhibition of CDK1/cyclinB | 17303421 |
| Cyclin-dependent kinase 1 | Ki | = | 150.0 | nM | 6.82 | Inhibition of CDK1 | 17303421 |
| Cyclin-dependent kinase 1 | IC50 | = | 1280.0 | nM | 5.89 | Antiproliferative activity against human MDA435 cells | 17303421 |
| Protein kinase C delta type | Ki | = | 1700.0 | nM | 5.77 | Inhibition of PKCd | 17303421 |
| Cyclin-dependent kinase 1 | IC50 | = | 1820.0 | nM | 5.74 | Antiproliferative activity against human H460a cells | 17303421 |
| Cyclin-dependent kinase 1 | IC50 | = | 1860.0 | nM | 5.73 | Antiproliferative activity against human RKO cells | 17303421 |
| Cyclin-dependent kinase 2 | Ki | = | 2000.0 | nM | 5.7 | Inhibition of CDK2 | 17303421 |
| Cyclin-dependent kinase 1 | IC50 | = | 2530.0 | nM | 5.6 | Antiproliferative activity against human HCT116 cells | 17303421 |
| SJSA-1 | IC50 | = | 2840.0 | nM | 5.55 | Antiproliferative activity against human SJSA1 cells | 17303421 |
| Cyclin-dependent kinase 1 | IC50 | = | 3100.0 | nM | 5.51 | Antiproliferative activity against human SW480 cells | 17303421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Cyclin-dependent kinase 1 | 6 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Cyclin-dependent kinase 2 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Unchecked | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Cyclin-dependent kinase 4 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Ribosomal protein S6 kinase alpha-3 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Serine/threonine-protein kinase AKT | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Protein kinase C alpha type | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Protein kinase C delta type | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Mitogen-activated protein kinase 1 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Glycogen synthase kinase-3 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Tyrosine-protein kinase Fyn | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Ephrin type-B receptor 3 | 1 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | SJSA-1 | 1 |
Data from ChEMBL 36 via Core Engine