Compound Detail
CHEMBL30516
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Basic Information
| ChEMBL ID | CHEMBL30516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYBXHAPOTZQLPD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.97
ALogP
8
HBA
1
HBD
88.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.0 | 6.8 | 99.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 99.0 | nM | 7.0 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378365 | 10.1016/s0960-894x(01)00238-4 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine