Compound Detail
CHEMBL5570200
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C#CN(C)S(=O)(=O)c1ccc(CN(Cc2ccccc2)c2ccc(-c3nc4ccccc4s3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5570200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASFVNIZXSURWRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
6.38
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ASPC1 CHEMBL612588 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ASPC1 | IC50 | = | 44.0 | nM | 7.36 | Antiproliferative activity against human AsPC1 cells assessed as inhibition of c... | 38265413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38265413 | 10.1021/acs.jmedchem.3c01608 | ASPC1 | 1 |
Data from ChEMBL 36 via Core Engine