Compound Detail
CHEMBL6031940
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O=C1c2cc(-c3ccc(-c4nn[nH]n4)cc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
Basic Information
| ChEMBL ID | CHEMBL6031940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXNXNIZIDMXZOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.68
ALogP
8
HBA
1
HBD
118.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 5.52 | nM | 8.26 | Kinase Activity Inhibition Assay: Inhibition of ASK1 kinase activity was determi... | - |
Data from ChEMBL 36 via Core Engine