HESPERADIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H32N4O3S
Molecular Weight	516.654
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

CCS(=O)(=O)NC1=CC2=C(NC(=O)\C2=C(/NC3=CC=C(CN4CCCCC4)C=C3)C5=CC=CC=C5)C=C1

InChI

InChIKey=GLDSKRNGVVYJAB-DQSJHHFOSA-N

InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-

HIDE SMILES / InChI

Molecular Formula	C29H32N4O3S
Molecular Weight	516.654
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase Aurora-B 28	Inhibitor 8,504		250.0 nM [IC50]
Mitogen-activated protein kinase kinase kinase 2 3	Inhibitor 8,504		60.0 nM [IC50]