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Details

Stereochemistry ACHIRAL
Molecular Formula C23H30F3N3O2S
Molecular Weight 469.563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-0736

SMILES

CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=C(C=CC=C4)C(F)(F)F

InChI

InChIKey=ORQZQBUNAMJFCY-UHFFFAOYSA-N
InChI=1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C23H30F3N3O2S
Molecular Weight 469.563
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:59 GMT 2023
Edited
by admin
on Fri Dec 15 19:40:59 GMT 2023
Record UNII
9RT16RBU2Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MK-0736
Common Name English
3-(4-(3-(ETHYLSULFONYL)PROPYL)BICYCLO(2.2.2)OCT-1-YL-4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOLE
Systematic Name English
4H-1,2,4-TRIAZOLE, 3-(4-(3-(ETHYLSULFONYL)PROPYL)BICYCLO(2.2.2)OCT-1-YL)-4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
MK0736
Code English
Code System Code Type Description
CAS
719272-79-4
Created by admin on Fri Dec 15 19:41:00 GMT 2023 , Edited by admin on Fri Dec 15 19:41:00 GMT 2023
PRIMARY
FDA UNII
9RT16RBU2Y
Created by admin on Fri Dec 15 19:41:00 GMT 2023 , Edited by admin on Fri Dec 15 19:41:00 GMT 2023
PRIMARY
DRUG BANK
DB15209
Created by admin on Fri Dec 15 19:41:00 GMT 2023 , Edited by admin on Fri Dec 15 19:41:00 GMT 2023
PRIMARY
PUBCHEM
22591684
Created by admin on Fri Dec 15 19:41:00 GMT 2023 , Edited by admin on Fri Dec 15 19:41:00 GMT 2023
PRIMARY
SMS_ID
300000041412
Created by admin on Fri Dec 15 19:41:00 GMT 2023 , Edited by admin on Fri Dec 15 19:41:00 GMT 2023
PRIMARY
Related Record Type Details
Structure of MK-0736 HYDROCHLORIDE
SALT/SOLVATE -> PARENT
11.BETA.-HYDROXYSTEROID DEHYDROGENASE TYPE 1
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
Related Record Type Details
Structure of MK-0736
ACTIVE MOIETY
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