Compound Detail
CHEMBL6015163
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C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN3CCCCC3)NC3CCC(CN)CC3)[C@H](C(=O)NCc3cc4cnccc4s3)C2)O[C@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL6015163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQJSNRWXRWDWQC-GNLUFGTRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
743.0
MW (Da)
5.07
ALogP
10
HBA
3
HBD
128.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XII CHEMBL2821 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XII | IC50 | = | 3.0 | nM | 8.52 | Factor XIIa Assay: The effectiveness of a compound of the present invention as a... | - |
Data from ChEMBL 36 via Core Engine