Compound Detail
CHEMBL304827
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(Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC(Cc1c[nH]cn1)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL304827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAIRDRAOLOPZSO-SQTCDLSVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
827.8
MW (Da)
7.37
ALogP
6
HBA
5
HBD
136.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 1 CHEMBL3974 | IC50 | 6.7 | 6.31 | 200.0 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a co... | 11514149 |
| Proteinase-activated receptor 1 | IC50 | = | 460.0 | nM | 6.34 | In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at ... | 11514149 |
| Proteinase-activated receptor 1 | IC50 | = | 1300.0 | nM | 5.89 | In vitro displacement of [3H]S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentratio... | 11514149 |
| Homo sapiens | IC50 | = | 34000.0 | nM | 4.47 | In vitro inhibition of human platelet aggregation induced by 3 ug/ml collagen. | 11514149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514149 | 10.1016/s0960-894x(01)00378-x | Proteinase-activated receptor 1 | 3 |
| 11514149 | 10.1016/s0960-894x(01)00378-x | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine