Compound Detail
CHEMBL316275
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Basic Information
| ChEMBL ID | CHEMBL316275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFYZFDVAKCDQST-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.95
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL4825 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.97 | 5.565 | 1080.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2425.34 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12778.17 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2276.21 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 37561.39 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Mitogen-activated protein kinase p38 alpha | 9873604 |
| Mitogen-activated protein kinase 14 | IC50 | = | 9.8 | nM | 8.01 | Inhibitory potency evaluated against rat p38 kinase | 9873604 |
| Mitogen-activated protein kinase 11 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Mitogen-activated protein kinase p38 beta | 9873604 |
| MAP kinase p38 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of LPS-induced p38-related TNF alpha release from human monocytes | 9873604 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of RAF kinase | 9873604 |
| Mitogen-activated protein kinase 9 | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of c-Jun N-terminal kinase 2-beta 1 | 9873604 |
| Mitogen-activated protein kinase 9 | IC50 | = | 6850.0 | nM | 5.16 | Inhibition of c-Jun N-terminal kinase 2-alpha 2 | 9873604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Rattus norvegicus | 5 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 14 | 2 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | RAF proto-oncogene serine/threonine-protein kinase | 2 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 9 | 2 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 11 | 1 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 12 | 1 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 8 | 1 |
| 9873604 | 10.1016/s0960-894x(98)00495-8 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine