U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H33N3O6
Molecular Weight 507.5781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-371,257

SMILES

COC1=CC(OC2CCN(CC2)C(C)=O)=CC=C1C(=O)N3CCC(CC3)N4C(=O)OCC5=CC=CC=C45

InChI

InChIKey=WDERJSQJYIJOPD-UHFFFAOYSA-N
InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
4.6 nM [Ki]
3.2 µM [Ki]
37.0 µM [Ki]