Compound Detail
CHEMBL4551490
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Cc1c(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C
Basic Information
| ChEMBL ID | CHEMBL4551490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PETCZXAONWLUFT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
5.38
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 | IC50 | = | 91.0 | nM | 7.04 | Displacement of fluorescein labeled ATP probe from full length His/GST-tagged RI... | 32184955 |
| Hepatocyte growth factor receptor | IC50 | = | 1100.0 | nM | 5.96 | Displacement of fluorescein labeled ATP probe from His/GST-tagged c-Met (unknown... | 32184955 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 5500.0 | nM | 5.26 | Displacement of fluorescein labeled ATP probe from His/GST-tagged RIPK1 (unknown... | 32184955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Hepatocyte growth factor receptor | 1 |
| 32184955 | 10.1021/acsmedchemlett.9b00065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine