Compound Detail
CHEMBL140217
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O=C(CN1CCc2ccc(N3CCNCC3)cc2C1=O)NCC(NS(=O)(=O)c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL140217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSICLXCUTLXRPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
-0.36
ALogP
7
HBA
4
HBD
148.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 140.0 | nM | 6.85 | in vitro inhibition of human gel-filtered platelets using ADP agonist | 8917647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917647 | 10.1021/jm9604787 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine