Compound Detail
CHEMBL96189
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O=C(NC[C@H](NS(=O)(=O)c1cccnc1)C(=O)O)c1cc2c(s1)CCN(CCC1CCNCC1)C2=O
Basic Information
| ChEMBL ID | CHEMBL96189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJDGTXWATZIYJY-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
0.69
ALogP
8
HBA
4
HBD
157.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 13.0 | nM | 7.89 | Compound was evaluated for inhibition of ex vivo ADP mediated platelet aggregati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00511-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine