Compound Detail
CHEMBL4780999
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CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C5N=NN=N5)cc4)cc23)c1F
Basic Information
| ChEMBL ID | CHEMBL4780999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXOFHZZTGBRCRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.5
MW (Da)
5.12
ALogP
9
HBA
2
HBD
154.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of MEKK2 (unknown origin) using casein as substrate in presence of [g... | - |
Data from ChEMBL 36 via Core Engine