METHYL P-TOLUENESULFONYL-L-ARGININATE

Search structure


Synonyms:	L-arginine, n2-((4-methylphenyl)sulfonyl)-, methyl ester Methyl p-toluenesulfonyl-l-argininate N1-tosyl-l-arginine methyl ester Tame (pharmaceutical)
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	1H7BKF44U1

Structure


InChI Key	FKMJXALNHKIDOD-LBPRGKRZSA-N
Smile	COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccc(C)cc1
InChI	InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H22N4O4S
Molecular Weight	342.42
AlogP	-0.13
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	136.87
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	23.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily	-	89000	-	-	-

Cross References

Resources	Reference
ChEBI	62167
ChEMBL	CHEMBL44752
FDA SRS	1H7BKF44U1
SureChEMBL	SCHEMBL324561
ZINC	ZINC000001639578

CONTENTS