Compound Detail
CHEMBL6052143
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](n2c(=O)[nH]c3cc(Cl)ccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL6052143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTDAPYITALQSLF-SHTZXODSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.0
MW (Da)
3.61
ALogP
6
HBA
3
HBD
112.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 0.0597 | nM | 10.22 | Biochemical Assay: The tankyrase 1 biochemical activity of the compounds was ass... | - |
| Unchecked | IC50 | = | 2.52 | nM | 8.6 | Biochemical Assay: The tankyrase 1 biochemical activity of the compounds was ass... | - |
Data from ChEMBL 36 via Core Engine