Compound Detail
CHEMBL3623779
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3623779 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZXLZUCADFTVDHK-WUNQXOFZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1453.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-7 CHEMBL2443 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Kallikrein-14 CHEMBL2641 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Kallikrein-5 CHEMBL4447 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Transmembrane protease serine 6 CHEMBL1795139 | Ki | 4.71 | 4.71 | 19300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-7 | Ki | = | 0.8 | nM | 9.1 | Inhibition of KLK7 (unknown origin) expressed in Pichia pastoris X33 using KHLY-... | 26393374 |
| Kallikrein-14 | Ki | = | 1.2 | nM | 8.92 | Inhibition of KLK14 (unknown origin) expressed in Sf9 cells using Ac-YANR-pNA su... | 26393374 |
| Kallikrein-5 | Ki | = | 5.2 | nM | 8.28 | Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris X33 using Ac-YR... | 26393374 |
| Transmembrane protease serine 6 | Ki | = | 19300.0 | nM | 4.71 | Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrop... | 26393374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Kallikrein-7 | 2 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Kallikrein-5 | 2 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Kallikrein-14 | 2 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Transmembrane protease serine 6 | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Prothrombin | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Kallikrein-4 | 1 |
| 26393374 | 10.1021/acs.jmedchem.5b01148 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine