Compound Detail

CHEMBL3623793

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3623793
Phase	Preclinical
Structure Type	BOTH
InChI Key	WLLYNBSNNIWCMO-UATUEGOXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1591.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C70H102N20O19S2
MW	1591.84

Activity Summary

Ki 3 meas. best 9.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypsin CHEMBL2095204	Ki	9.8	9.8	0.2	1
Prothrombin CHEMBL204	Ki	6.67	6.67	214.0	1
Plasminogen CHEMBL1801	Ki	6.26	6.26	549.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypsin	Ki	=	0.16	nM	9.8	Inhibition of beta-trypsin (unknown origin) using Bz-FVRpNA substrate by spectro...	26393374
Prothrombin	Ki	=	214.0	nM	6.67	Inhibition of alpha-thrombin (unknown origin) using Ac-ATPRpNA substrate by spec...	26393374
Plasminogen	Ki	=	549.0	nM	6.26	Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA substrate by spectro...	26393374

Literature References

PubMed	DOI	Target Context	# Activities
26393374	10.1021/acs.jmedchem.5b01148	Prothrombin	1
26393374	10.1021/acs.jmedchem.5b01148	Plasminogen	1
26393374	10.1021/acs.jmedchem.5b01148	Trypsin	1
26393374	10.1021/acs.jmedchem.5b01148	Transmembrane protease serine 6	1

Data from ChEMBL 36 via Core Engine