Compound Detail
CHEMBL3665972
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Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)ncc4C)ccc3[nH]2)n1
Basic Information
| ChEMBL ID | CHEMBL3665972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOKOYWUWOZIRMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
4.52
ALogP
6
HBA
3
HBD
134.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL3638350 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 0.2 | nM | 9.7 | Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can dete... | - |
Data from ChEMBL 36 via Core Engine