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Compound Detail

CHEMBL414519

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CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCCNC(=O)C[C@@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N2

Basic Information

ChEMBL ID CHEMBL414519
Phase Preclinical
Structure Type BOTH
InChI Key HAAFCZIGQWMMKI-ZJNBFAAVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1115.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H66N16O10S2
MW 1115.31

Activity Summary

EC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.48 7.48 33.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 33.0 nM 7.48 Activity expressed as EC50 was measured in frog. 7752197
Unchecked EC50 = 33.0 nM 7.48 Activity expressed as EC50 was measured in lizard. 7752197

Literature References

PubMed DOI Target Context # Activities
7752197 10.1021/jm00010a018 Unchecked 4

Data from ChEMBL 36 via Core Engine