Compound Detail
CHEMBL2151190
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Basic Information
| ChEMBL ID | CHEMBL2151190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEQRWFABERLIOV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
-0.23
ALogP
9
HBA
0
HBD
101.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex CHEMBL3988584 | IC50 | 6.36 | 6.36 | 439.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL5233 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex | IC50 | = | 439.0 | nM | 6.36 | Inhibition Assay: Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The a... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated f... | 23002419 |
| Mitogen-activated protein kinase 9 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincuba... | 23002419 |
| Mitogen-activated protein kinase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mi... | 23002419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 9 | 3 |
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 14 | 2 |
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 1 | 2 |
| 23002419 | 10.1021/ml300129b | c-Jun N-terminal kinase, JNK | 2 |
Data from ChEMBL 36 via Core Engine