Compound Detail
CHEMBL5649155
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Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(Cc6ccc(O)cc6)nc5-c5ccccc5)cc4)CC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5649155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODFJPVMGPACUDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
5.46
ALogP
7
HBA
4
HBD
133.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.25 | 5.25 | 5590.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 4.75 | 4.75 | 17701.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 5590.0 | nM | 5.25 | Inhibition of N-terminal His6-tagged TEV protease fused wild-type AKT1 (2 to 446... | 31584233 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 17701.0 | nM | 4.75 | Inhibition of wild-type AKT3 (unknown origin) by HTRF KinEASE assay | 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 |
| 31584233 | 10.1002/anie.201909857 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine