Compound Detail
CHEMBL286020
SULMAZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL286020 |
| Name | SULMAZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XMFCOYRWYYXZMY-UHFFFAOYSA-N |
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
287.3
MW (Da)
2.37
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 7 meas. best 4.68
EC50 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.51 | 4.255 | 31000.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 21000.0 | nM | 4.68 | In vitro inhibition of PDE-V isolated from porcine pulmonary artery. | 8388468 |
| Cavia porcellus | EC50 | = | 31000.0 | nM | 4.51 | In vitro inotropic activity in isolated left atria from guinea pig. | 1447745 |
| Phosphodiesterase 3 | IC50 | = | 50118.72 | nM | 4.3 | Concentration of compound required for 50% inhibition of type III cAMP phosphodi... | - |
| Cavia porcellus | EC50 | = | 100000.0 | nM | 4.0 | The compound was tested in vitro for chronotropic activity in isolated right atr... | 1447745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165165 | 10.1021/jm00170a030 | Canis familiaris | 6 |
| - | 10.1016/S0960-894X(01)81217-8 | Canis familiaris | 5 |
| 1447745 | 10.1021/jm00101a024 | Canis familiaris | 5 |
| 4009593 | 10.1021/jm00383a006 | Felis catus | 4 |
| 8388468 | 10.1021/jm00062a011 | Phosphodiesterase 3 | 4 |
| 1447745 | 10.1021/jm00101a024 | Cavia porcellus | 4 |
| 2864447 | 10.1021/jm00148a006 | Canis familiaris | 3 |
| 4009593 | 10.1021/jm00383a006 | Canis familiaris | 3 |
| 3783603 | 10.1021/jm00162a002 | Cavia porcellus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8709115 | 10.1021/jm9509307 | ADMET | 2 |
| 6471063 | 10.1021/jm00375a001 | Phosphodiesterase 3 | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Cavia porcellus | 1 |
| 6471063 | 10.1021/jm00375a001 | Canis familiaris | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Phosphodiesterase 3 | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Unchecked | 1 |
| 8388468 | 10.1021/jm00062a011 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 8709115 | 10.1021/jm9509307 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine