Compound Detail
CHEMBL2107228
SOLIMASTAT 🧪 Phase II
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🧪 Phase II
CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL2107228 |
| Name | SOLIMASTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WORSVFBVUCBRIP-VNQPRFMTSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
Molecular Properties
408.5
MW (Da)
1.73
ALogP
6
HBA
4
HBD
129.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrilysin CHEMBL4073 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrilysin | IC50 | = | 5.0 | nM | 8.3 | Inhibition of MMP-7 (unknown origin) | 35969157 |
| Interstitial collagenase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of MMP-1 (unknown origin) | 35969157 |
| Stromelysin-1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of MMP-3 (unknown origin) | 35969157 |
| Matrix metalloproteinase-9 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of MMP-9 (unknown origin) | 35969157 |
| 72 kDa type IV collagenase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of MMP-2 (unknown origin) | 35969157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Interstitial collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | 72 kDa type IV collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Stromelysin-1 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrilysin | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine