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Compound Detail

CHEMBL3736473

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CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC1=O

Basic Information

ChEMBL ID CHEMBL3736473
Phase Preclinical
Structure Type BOTH
InChI Key KERRERRJNCDROY-FPUIQZHASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1244.6
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C55H89N17O12S2
MW 1244.56

Activity Summary

Ki 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma kallikrein
CHEMBL2000
Ki 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma kallikrein Ki = 64.0 nM 7.19 Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroa... 26536069

Literature References

PubMed DOI Target Context # Activities
26536069 10.1021/acs.jmedchem.5b01128 Urokinase-type plasminogen activator 2
26536069 10.1021/acs.jmedchem.5b01128 Plasma kallikrein 1

Data from ChEMBL 36 via Core Engine