Compound Detail
CHEMBL570904
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Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Nc3ccnc4ccc(N)cc34)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL570904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKHUGLZLKVCOGF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
7.00
ALogP
6
HBA
4
HBD
109.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.0 | 6.71 | 100.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.33 | 6.19 | 470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 100.0 | nM | 7.0 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 19928858 |
| Mitogen-activated protein kinase 9 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of JNK2 active form by HTRF assay | 19928858 |
| Mitogen-activated protein kinase 14 | IC50 | = | 470.0 | nM | 6.33 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 19928858 |
| Mitogen-activated protein kinase 14 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells... | 19928858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928858 | 10.1021/jm901297e | Mitogen-activated protein kinase 14 | 2 |
| 19928858 | 10.1021/jm901297e | Mitogen-activated protein kinase 9 | 2 |
Data from ChEMBL 36 via Core Engine