Compound Detail
CHEMBL5824130
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CN/C(=C\C=N)Nc1nccc(-c2cc(=N)n3c(=N)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3c2)n1
Basic Information
| ChEMBL ID | CHEMBL5824130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUKAAYJXGDBVSK-XZLHJOFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.0
MW (Da)
1.68
ALogP
11
HBA
5
HBD
152.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.56 | 9.56 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.273 | nM | 9.56 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.273 | nM | 9.56 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
Data from ChEMBL 36 via Core Engine