Compound Detail

CHEMBL342838

Enter ChEMBL ID:

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

CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC1CCCN(C(=N)N)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL342838
Phase	Preclinical
Structure Type	MOL
InChI Key	HLEXEFPWIXSUIV-WDHNVLQZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

550.7

MW (Da)

0.92

ALogP

HBA

HBD

175.0

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prothrombin CHEMBL204	IC50	8.82	8.795	1.5	2
Trypsin II CHEMBL4472	IC50	7.16	7.055	69.7	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prothrombin	IC50	=	1.5	nM	8.82	Compound was evaluated for inhibition of amidolytic activity for chromogenic sub...	8917638
Prothrombin	IC50	=	1.7	nM	8.77	Compound was evaluated for inhibition of amidolytic activity for chromogenic sub...	8917638
Trypsin II	IC50	=	69.7	nM	7.16	Compound was evaluated for inhibition of amidolytic activity for chromogenic sub...	8917638
Trypsin II	IC50	=	113.0	nM	6.95	Compound was evaluated for inhibition of amidolytic activity for chromogenic sub...	8917638

PubMed	DOI	Target Context	# Activities
8917638	10.1021/jm960607j	Prothrombin	2
8917638	10.1021/jm960607j	Trypsin II	2
8917638	10.1021/jm960607j	Coagulation factor X	2
8917638	10.1021/jm960607j	Thrombin & trypsin	2
8917638	10.1021/jm960607j	Unchecked	2

Data from ChEMBL 36 via Core Engine