Compound Detail
CHEMBL1761582
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Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2cnn(C)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL1761582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSXBDGQITSROHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
3.59
ALogP
12
HBA
1
HBD
116.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of JNK3 by HRTF | 21316221 |
| Transcription factor Jun | IC50 | = | 40.0 | nM | 7.4 | Inhibition of c-Jun | 21316221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Mitogen-activated protein kinase 10 | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Transcription factor Jun | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Plasma | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Brain | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine