Compound Detail
CHEMBL74087
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N=C(N)Nc1ccc(C(CC(=O)NCCc2ccccc2)C(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL74087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYSAYCNEDQNKQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
659.8
MW (Da)
4.90
ALogP
4
HBA
5
HBD
143.7
PSA (Ų)
0.10
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase beta-1 CHEMBL2617 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase beta-1 | Ki | = | 210.0 | nM | 6.68 | Inhibitory activity against human tryptase enzyme | 11527724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527724 | 10.1016/s0960-894x(01)00444-9 | Tryptase beta-1 | 1 |
| 11527724 | 10.1016/s0960-894x(01)00444-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine