Compound Detail
CHEMBL104119
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Basic Information
| ChEMBL ID | CHEMBL104119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCSCCHWFDTVWIO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.38
ALogP
6
HBA
2
HBD
80.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Kd | 5.93 | 5.6175 | 1181.0 | 4 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | Kd | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Kd | = | 1181.0 | nM | 5.93 | Dissociation constant at Tm against human Mitogen-activated protein kinase p38 a... | 14561086 |
| Mitogen-activated protein kinase 14 | Kd | = | 2000.0 | nM | 5.7 | Binding affinity for Mitogen-activated protein kinase p38 alpha | 12941343 |
| Mitogen-activated protein kinase 14 | Kd | = | 2400.0 | nM | 5.62 | Kd value and murine Mitogen-activated protein kinase p38 alpha complex was calcu... | 14561087 |
| Mitogen-activated protein kinase 14 | Kd | = | 2400.0 | nM | 5.62 | Dissociation constant at Tref against human Mitogen-activated protein kinase p38... | 14561086 |
| Mitogen-activated protein kinase 14 | Kd | = | 6070.0 | nM | 5.22 | Dissociation constant at Tm against human Mitogen-activated protein kinase p38 a... | 14561086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561086 | 10.1021/jm030120s | Mitogen-activated protein kinase 14 | 3 |
| 14561087 | 10.1021/jm030121k | Mitogen-activated protein kinase 14 | 2 |
| 12941343 | 10.1016/s0960-894x(03)00656-5 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine