Compound Detail
CHEMBL5649159
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Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccc(N)cc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5649159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAWIDCUNRSFLTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.47
ALogP
6
HBA
3
HBD
112.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 319.0 | nM | 6.5 | Inhibition of N-terminal His6-tagged TEV protease fused wild-type AKT1 (2 to 446... | 31584233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31584233 | 10.1002/anie.201909857 | RAC-alpha serine/threonine-protein kinase | 1 |
| 31584233 | 10.1002/anie.201909857 | RAC-beta serine/threonine-protein kinase | 1 |
| 31584233 | 10.1002/anie.201909857 | RAC-gamma serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine