Compound Detail
CHEMBL5083544
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Basic Information
| ChEMBL ID | CHEMBL5083544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAYCBBWWFAPAPM-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
0.14
ALogP
7
HBA
3
HBD
127.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.43 | 6.215 | 37.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibition of recombinant rat/human ADAMTS7 hybrid using HiLyteFluor-488 DELSSMV... | - |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of recombinant rat/human ADAMTS7 hybrid using HiLyteFluor-488 DELSSMV... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant rat/human ADAMTS12 hybrid using HiLyteFluor-488 DELSSM... | - |
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of recombinant rat/human ADAMTS12 hybrid using HiLyteFluor-488 DELSSM... | - |
Data from ChEMBL 36 via Core Engine