Compound Detail
CHEMBL109504
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N=C(N)N1CCCC(C[C@H]2C(=O)N(C(=O)N3CCN(C(=O)CCCCCC4CCCCC4)CC3)[C@@H]2C(=O)O)C1
Basic Information
| ChEMBL ID | CHEMBL109504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUFUAGQUIQUBPV-MKXPUETBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
2.69
ALogP
5
HBA
3
HBD
151.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase | IC50 | = | 1.9 | nM | 8.72 | Inhibitory concentration against human tryptase | 12372541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372541 | 10.1016/s0960-894x(02)00689-3 | Unchecked | 5 |
| 12372541 | 10.1016/s0960-894x(02)00689-3 | Tryptase | 1 |
Data from ChEMBL 36 via Core Engine