Compound Detail
CHEMBL569943
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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ncnc4ccc(N)cc34)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL569943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTLVXUKPLVSAJT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
6.39
ALogP
7
HBA
4
HBD
122.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.43 | 6.385 | 370.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.85 | 5.785 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 370.0 | nM | 6.43 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 19928858 |
| Mitogen-activated protein kinase 14 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells... | 19928858 |
| Mitogen-activated protein kinase 9 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of JNK2 active form by HTRF assay | 19928858 |
| Mitogen-activated protein kinase 9 | IC50 | = | 1900.0 | nM | 5.72 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 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