Compound Detail
CHEMBL3545213
BENTAMAPIMOD 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3545213 |
| Name | BENTAMAPIMOD |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XCPPIJCBCWUBNT-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
457.6
MW (Da)
4.15
ALogP
8
HBA
0
HBD
84.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| c-Jun N-terminal kinase, JNK inhibitor | INHIBITOR | c-Jun N-terminal kinase, JNK | ✓ | ✓ |
Indications
Endometriosis
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.05 | 7.05 | 90.0 | 2 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.64 | 6.64 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of JNK1 (unknown origin) | 33481605 |
| Mitogen-activated protein kinase 8 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of JNK1 (unknown origin) | 36649216 |
| Mitogen-activated protein kinase 9 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of JNK2 (unknown origin) | 33481605 |
| Mitogen-activated protein kinase 9 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of JNK2 (unknown origin) | 36649216 |
| Mitogen-activated protein kinase 10 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JNK3 (unknown origin) | 33481605 |
| Mitogen-activated protein kinase 10 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JNK3 (unknown origin) | 36649216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Mitogen-activated protein kinase 8 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Mitogen-activated protein kinase 9 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Mitogen-activated protein kinase 10 | 1 |
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 8 | 1 |
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 9 | 1 |
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine