Compound Detail
CHEMBL3109203
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O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1)Nc1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL3109203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUQNUTWHEMOZGU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
6.45
ALogP
4
HBA
3
HBD
113.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.8 | 7.3667 | 16.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) a... | 24900635 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 16.0 | nM | 7.8 | Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-... | 24900635 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.f... | 24900635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900635 | 10.1021/ml400382p | Receptor-interacting serine/threonine-protein kinase 1 | 5 |
Data from ChEMBL 36 via Core Engine