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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H30F2N2O
Molecular Weight 448.5474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GBR-12879

SMILES

FC1=CC=C(C=C1)C(OCCN2CCN(C\C=C\C3=CC=CC=C3)CC2)C4=CC=C(F)C=C4

InChI

InChIKey=DASHZBBQOARCMQ-QPJJXVBHSA-N
InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+

HIDE SMILES / InChI

Molecular Formula C28H30F2N2O
Molecular Weight 448.5474
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

Primary TargetPharmacologyConditionPotency
2690.0 nM [IC50]
1770.0 nM [IC50]
0.9 nM [Ki]
140.0 nM [Ki]
Substance Class Chemical
Record UNII
VNS6D6QMEP
Record Status Validated (UNII)
Record Version