Compound Detail

CHEMBL117363

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CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)Cc1ccc(C(=N)N)cc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL117363
Phase	Preclinical
Structure Type	MOL
InChI Key	SNVBUMRNXKMZON-GUYCJALGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

449.5

MW (Da)

-1.19

ALogP

HBA

HBD

211.8

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Integrin alpha-IIb/beta-3 CHEMBL2093869	IC50	6.52	6.52	300.0	1
Unchecked CHEMBL612545	IC50	6.52	6.4467	300.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	300.0	nM	6.52	Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ...	1447740
Unchecked	IC50	=	300.0	nM	6.52	Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ...	1447740
Integrin alpha-IIb/beta-3	IC50	=	300.0	nM	6.52	Inhibition of platelet aggregation	10999999
Unchecked	IC50	=	500.0	nM	6.3	Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ...	1447740

PubMed	DOI	Target Context	# Activities
1447740	10.1021/jm00101a017	Unchecked	3
1447740	10.1021/jm00101a017	Integrin alpha-IIb/beta-3	1
1447740	10.1021/jm00101a017	Integrin alpha-V/beta-3	1
10999999	10.1021/jm000022w	Integrin alpha-IIb/beta-3	1

Data from ChEMBL 36 via Core Engine