Compound Detail
CHEMBL414042
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](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL414042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYHUYMLIVQFXRI-SJPGYWQQSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1112.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| P388 CHEMBL389 | IC50 | 8.7 | 7.3667 | 2.0 | 3 |
| A549 CHEMBL392 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against mouse P388 cells assessed as cell growth inhi... | 33592144 |
| A549 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 33592144 |
| HT-29 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | 33592144 |
| SK-MEL-28 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human SK-MEL-28 cells assessed as cell growth... | 33592144 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of EIF1A (unknown origin) | 33592144 |
| P388 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of protein synthesis in mouse P388 cells measured after 72 hrs | 33592144 |
| P388 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of DNA synthesis in mouse P388 cells measured after 72 hrs | 33592144 |
| Oryctolagus cuniculus | IC50 | = | 4400.0 | nM | 5.36 | Compound was tested for inhibitory effect on protein biosynthesis in rabbit reti... | 9934489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33592144 | 10.1021/acs.jmedchem.0c01746 | P388 | 4 |
| 9934489 | 10.1016/s0960-894x(98)00662-3 | Oryctolagus cuniculus | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | Unchecked | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | A549 | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | HT-29 | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine