Compound Detail
CHEMBL5079962
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5079962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSABDNHGKFBHJS-BRVBZNILSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1653.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of bacterial MraY | 27021004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33974425 | 10.1021/acs.jmedchem.0c02065 | Unchecked | 27 |
| 33974425 | 10.1021/acs.jmedchem.0c02065 | Mus musculus | 10 |
| 33974425 | 10.1021/acs.jmedchem.0c02065 | HBEC3-KT | 6 |
| 33974425 | 10.1021/acs.jmedchem.0c02065 | No relevant target | 1 |
| 33974425 | 10.1021/acs.jmedchem.0c02065 | ADMET | 1 |
| 27021004 | 10.1016/j.bmc.2016.03.018 | Unchecked | 1 |
| 27021004 | 10.1016/j.bmc.2016.03.018 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine