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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H27NO3
Molecular Weight 317.4226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRE-084

SMILES

O=C(OCCN1CCOCC1)C2(CCCCC2)C3=CC=CC=C3

InChI

InChIKey=RQHKZUBCUZVZEF-UHFFFAOYSA-N
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2

HIDE SMILES / InChI

Molecular Formula C19H27NO3
Molecular Weight 317.4226
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q60492
Gene ID: 1.00135592E8
Gene Symbol: SIGMAR1
Target Organism: Cavia porcellus (Guinea pig)
9.0 nM [Ki]
Target ID: 1.00732584E8
Gene Symbol: Drd2
557.0 µM [IC50]
Target ID: Muscarinic acetylcholine receptor (Cavia porcellus)
13.95 µM [IC50]
Target ID: Serotonin 2 (5-HT2) receptor (Cavia porcellus)
18.75 µM [IC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 07:08:07 GMT 2025
Edited
by admin
on Wed Apr 02 07:08:07 GMT 2025
Record UNII
74BW8WG2MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRE-084
Code English
PRE 084
Preferred Name English
2-(4-Morpholinyl)ethyl 1-phenylcyclohexanecarboxylate
Systematic Name English
2-Morpholinoethyl 1-phenylcyclohexanecarboxylate
Systematic Name English
2-MORPHOLIN-4-YLETHYL 1-PHENYLCYCLOHEXANE-1-CARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
138847-85-5
Created by admin on Wed Apr 02 07:08:07 GMT 2025 , Edited by admin on Wed Apr 02 07:08:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID40160819
Created by admin on Wed Apr 02 07:08:07 GMT 2025 , Edited by admin on Wed Apr 02 07:08:07 GMT 2025
PRIMARY
FDA UNII
74BW8WG2MQ
Created by admin on Wed Apr 02 07:08:07 GMT 2025 , Edited by admin on Wed Apr 02 07:08:07 GMT 2025
PRIMARY
WIKIPEDIA
PRE-084
Created by admin on Wed Apr 02 07:08:07 GMT 2025 , Edited by admin on Wed Apr 02 07:08:07 GMT 2025
PRIMARY
PUBCHEM
126402
Created by admin on Wed Apr 02 07:08:07 GMT 2025 , Edited by admin on Wed Apr 02 07:08:07 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT