Compound Detail
CHEMBL3673612
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O=C(Nc1nc2cc(Cl)cc(CN3CCOCC3)c2[nH]1)c1ccc2cc3n(c2n1)CCCNC3=O
Basic Information
| ChEMBL ID | CHEMBL3673612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDFUUIPECUWQQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
2.78
ALogP
7
HBA
3
HBD
117.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 6.7 | nM | 8.17 | Kinase Glo Assay: Human RSK2 protein, purchased from Invitrogen, is used to meas... | - |
Data from ChEMBL 36 via Core Engine