Compound Detail
CHEMBL144596
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CCCCS(=O)(=O)NC(CC#Cc1ccc2c(c1)c(=O)n(CCC1CCNCC1)c(=O)n2Cc1ccncc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL144596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOTPOCSCTIFQRD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
595.7
MW (Da)
1.91
ALogP
9
HBA
3
HBD
152.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 74.0 | nM | 7.13 | In vitro inhibition of platelet aggregation by measuring its effect on the ADP-s... | 9871603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871603 | 10.1016/s0960-894x(98)00047-x | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine