Compound Detail
CHEMBL37961
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Basic Information
| ChEMBL ID | CHEMBL37961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKBQSFBNJUMIHL-NAFXZHHSSA-N |
| Parent Compound | CHEMBL1178699 |
| Active Moiety | CHEMBL1178699 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
4.02
ALogP
7
HBA
1
HBD
92.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.16 | 5.79 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 70.0 | nM | 7.16 | In vitro cytotoxicity evaluated in mouse heart endotheliaoma cell (MHEC5-T) afte... | 12699742 |
| NON-PROTEIN TARGET | IC50 | = | 38000.0 | nM | 4.42 | In vitro cytotoxicity evaluated in mouse heart endotheliaoma cell (MHEC5-T) afte... | 12699742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699742 | 10.1016/s0960-894x(03)00206-3 | NON-PROTEIN TARGET | 2 |
| 12699742 | 10.1016/s0960-894x(03)00206-3 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine