Compound Detail
CHEMBL5172923
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
Basic Information
| ChEMBL ID | CHEMBL5172923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KISDGNGREAJPQR-OICBGKIFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.85
ALogP
3
HBA
3
HBD
68.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| L1210 CHEMBL386 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 0.11 | nM | 9.96 | Inhibition of [3H]-PDBu binding to PKCdelta C1B domain (unknown origin) by compe... | 32652435 |
| L1210 | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against mouse L1210 cells assessed as inhibition of cell growth | 32652435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35859880 | 10.1021/acsmedchemlett.1c00562 | Unchecked | 4 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | L1210 | 1 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | ADMET | 1 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | Protein kinase C delta type | 1 |
| 38036273 | 10.1016/j.bmcl.2023.129570 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine