Compound Detail
CHEMBL3609306
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COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](Cc1ccccc1)C(=O)N2Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3609306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHDAIHPODSWMSQ-MGBGTMOVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
659.8
MW (Da)
5.96
ALogP
8
HBA
2
HBD
102.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | Ki | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | Ki | = | 4.2 | nM | 8.38 | Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr b... | 26191363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26191363 | 10.1021/acsmedchemlett.5b00084 | Bromodomain-containing protein 4 | 1 |
| 26191363 | 10.1021/acsmedchemlett.5b00084 | Serine/threonine-protein kinase PLK1 | 1 |
| 26191363 | 10.1021/acsmedchemlett.5b00084 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine