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Compound Detail

CHEMBL5570596

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CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O

Basic Information

ChEMBL ID CHEMBL5570596
Phase Preclinical
Structure Type MOL
InChI Key NIERHALTIURTRP-VJVRTMNHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1315.7
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C68H102N18O9
MW 1315.68

Activity Summary

IC50 2 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A20
CHEMBL613850
IC50 4.12 4.12 76100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A20 IC50 = 76100.0 nM 4.12 Cytotoxicity against mouse A20 cells incubated for 24 hrs by CCK8 assay 38762978

Literature References

PubMed DOI Target Context # Activities
38762978 10.1016/j.bmc.2024.117760 A20 1
38762978 10.1016/j.bmc.2024.117760 HepG2 1

Data from ChEMBL 36 via Core Engine