Compound Detail
CHEMBL6038448
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CN1CCC(NC(=O)OCC#Cc2ccc(OCc3nnc(SC4C=CCCC4)n3-c3cccnc3)cc2C#N)CC1
Basic Information
| ChEMBL ID | CHEMBL6038448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYRMRNDSGXHTSN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
4.49
ALogP
10
HBA
1
HBD
118.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Biomol Green Assay: Biomol Green (Enzo) is a bioluminescent, homogeneous assay t... | - |
Data from ChEMBL 36 via Core Engine