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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H46N2O5S
Molecular Weight 702.901
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LGD-6972

SMILES

CC1=CC(C)=C(C(C)=C1)C2=CC=C(NC(=O)[C@H](CC3=CC=C(C=C3)C(=O)NCCS(O)(=O)=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)C=C2

InChI

InChIKey=HKJMCBYPVCGZFB-LDLOPFEMSA-N
InChI=1S/C43H46N2O5S/c1-28-25-29(2)40(30(3)26-28)35-17-21-38(22-18-35)45-42(47)39(27-31-7-9-36(10-8-31)41(46)44-23-24-51(48,49)50)34-13-11-32(12-14-34)33-15-19-37(20-16-33)43(4,5)6/h7-22,25-26,39H,23-24,27H2,1-6H3,(H,44,46)(H,45,47)(H,48,49,50)/t39-/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H46N2O5S
Molecular Weight 702.901
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:36:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:30 GMT 2023
Record UNII
6IJ842I0Z2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LGD-6972
Code English
MB-11262
Code English
ETHANESULFONIC ACID, 2-((4-((2R)-2-(4'-(1,1-DIMETHYLETHYL)(1,1'-BIPHENYL)-4-YL)-3-OXO-3-((2',4',6'-TRIMETHYL(1,1'-BIPHENYL)-4-YL)AMINO)PROPYL)BENZOYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
6IJ842I0Z2
Created by admin on Sat Dec 16 11:36:30 GMT 2023 , Edited by admin on Sat Dec 16 11:36:30 GMT 2023
PRIMARY
PUBCHEM
44625560
Created by admin on Sat Dec 16 11:36:30 GMT 2023 , Edited by admin on Sat Dec 16 11:36:30 GMT 2023
PRIMARY
CAS
1207989-09-0
Created by admin on Sat Dec 16 11:36:30 GMT 2023 , Edited by admin on Sat Dec 16 11:36:30 GMT 2023
PRIMARY
DRUG BANK
DB14779
Created by admin on Sat Dec 16 11:36:30 GMT 2023 , Edited by admin on Sat Dec 16 11:36:30 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY