TIGULIXOSTAT

Search structure


Synonyms:	Lc350189 LC-350189 LC350189 Tigulixostat
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	WZ0PYQ6VLU

Structure


InChI Key	JLQQRYOWGCIMMZ-UHFFFAOYSA-N
Smile	CC(C)n1cc(C#N)c2cc(-n3cc(C(=O)O)cn3)ccc21
InChI	InChI=1S/C16H14N4O2/c1-10(2)19-8-11(6-17)14-5-13(3-4-15(14)19)20-9-12(7-18-20)16(21)22/h3-5,7-10H,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H14N4O2
Molecular Weight	294.31
AlogP	2.98
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	83.84
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	22.0

Cross References

Resources	Reference
ChEMBL	CHEMBL3652780
FDA SRS	WZ0PYQ6VLU
SureChEMBL	SCHEMBL1647151
ZINC	ZINC000068266912

CONTENTS