Compound Detail
CHEMBL142797
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CCCCS(=O)(=O)NC(CCCc1ccc2c(c1)c(=O)n(CCC1CCNCC1)c(=O)n2Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL142797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMPNEPDGENSXNT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
3.10
ALogP
8
HBA
3
HBD
139.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Canis familiaris CHEMBL373 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 160.0 | nM | 6.8 | In vitro inhibition of platelet aggregation by measuring its effect on the ADP-s... | 9871603 |
| Canis familiaris | IC50 | = | 210.0 | nM | 6.68 | Antiplatelet activity activity in iv dosed dog assessed as platelet aggregation | 29656203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871603 | 10.1016/s0960-894x(98)00047-x | Homo sapiens | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine