Compound Detail
CHEMBL314622
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(NC[C@H](NS(=O)(=O)c1cccs1)C(=O)O)c1ccc2c(c1)C(=O)N(CCC1CCNCC1)C2
Basic Information
| ChEMBL ID | CHEMBL314622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVTYTTGLAUMQMH-IBGZPJMESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
1.26
ALogP
7
HBA
4
HBD
144.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Kd 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of ADP-induced human platelet aggregation. | - |
| Integrin alpha-IIb/beta-3 | Kd | = | 7.7 | nM | 8.11 | Binding affinity against alpha IIb beta-3 integrin in the presence of L-736622. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00473-8 | Integrin alpha-IIb/beta-3 | 2 |
| - | 10.1016/0960-894X(96)00473-8 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine