Compound Detail
CHEMBL5080053
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5080053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVUUIERGWHFMPZ-JXHXJQFTSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1912.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.44 | 6.8633 | 3.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Inhibition of CAPN5 G267S mutant (unknown origin) using DABCYL-TPLKSPPPSPR-EDANS... | - |
| Unchecked | IC50 | = | 29.5 | nM | 7.53 | Inhibition of CAPN5 R243L mutant (unknown origin) | - |
| Unchecked | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of wild-type CAPN5 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine