Compound Detail
CHEMBL4285589
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]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4285589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIHWDNARDUBWAO-MOPAQVBSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
3187.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM96L CHEMBL614170 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| HFF-1 CHEMBL4296427 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM96L | IC50 | = | 930.0 | nM | 6.03 | Cytotoxicity against human MM96L after 24 hrs by MTT assay | 30387611 |
| HFF-1 | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human HFF1 after 24 hrs by MTT assay | 30387611 |
| HUVEC | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against HUVEC after 24 hrs by MTT assay | 30387611 |
| MDA-MB-231 | IC50 | = | 4400.0 | nM | 5.36 | Cytotoxicity against human MDA-MB-231 after 24 hrs by MTT assay | 30387611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30387611 | 10.1021/acs.jnatprod.8b00572 | HFF-1 | 1 |
| 30387611 | 10.1021/acs.jnatprod.8b00572 | HUVEC | 1 |
| 30387611 | 10.1021/acs.jnatprod.8b00572 | MM96L | 1 |
| 30387611 | 10.1021/acs.jnatprod.8b00572 | MDA-MB-231 | 1 |
| 30387611 | 10.1021/acs.jnatprod.8b00572 | HT-29 | 1 |
| 30387611 | 10.1021/acs.jnatprod.8b00572 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine