Compound Detail
CHEMBL5812561
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Cc1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)NC#N)cs4)c(CC4CC4)c3Cc3ccc([SH+](N)[O-])c(F)c3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL5812561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYEFZWSTCMEJGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
641.8
MW (Da)
5.37
ALogP
9
HBA
2
HBD
132.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... | - |
Data from ChEMBL 36 via Core Engine