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

Details

Stereochemistry ACHIRAL
Molecular Formula C35H42N4O5
Molecular Weight 598.7331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THRX-195518

SMILES

CN(CCN1CCC(CC1)OC(=Nc2ccccc2-c3ccccc3)O)C(=O)c4ccc(cc4)CN5CCC(CC5)C(=O)O

InChI

InChIKey=ZVPVPYWMFMUFEZ-UHFFFAOYSA-N
InChI=1S/C35H42N4O5/c1-37(33(40)28-13-11-26(12-14-28)25-39-19-15-29(16-20-39)34(41)42)23-24-38-21-17-30(18-22-38)44-35(43)36-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,29-30H,15-25H2,1H3,(H,36,43)(H,41,42)

HIDE SMILES / InChI

Molecular Formula C35H42N4O5
Molecular Weight 598.7331
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:27:37 UTC 2021
Edited
by admin
on Fri Jun 25 22:27:37 UTC 2021
Record UNII
A6X64T4LZ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THRX-195518
Common Name English
1-((4-(((2-(4-((((1,1'-BIPHENYL)-2-YLAMINO)CARBONYL)OXY)-1-PIPERIDINYL)ETHYL)METHYLAMINO)CARBONYL)PHENYL)METHYL)-4-PIPERIDINECARBOXYLIC ACID
Systematic Name English
4-PIPERIDINECARBOXYLIC ACID, 1-((4-(((2-(4-((((1,1'-BIPHENYL)-2-YLAMINO)CARBONYL)OXY)-1-PIPERIDINYL)ETHYL)METHYLAMINO)CARBONYL)PHENYL)METHYL)
Systematic Name English
REVEFENACIN METABOLITE M2 (HYDROLYSIS OF THE PRIMARY AMIDE)
Common Name English
Code System Code Type Description
FDA UNII
A6X64T4LZ4
Created by admin on Fri Jun 25 22:27:37 UTC 2021 , Edited by admin on Fri Jun 25 22:27:37 UTC 2021
PRIMARY
CAS
909800-36-8
Created by admin on Fri Jun 25 22:27:37 UTC 2021 , Edited by admin on Fri Jun 25 22:27:37 UTC 2021
PRIMARY
PUBCHEM
57459433
Created by admin on Fri Jun 25 22:27:37 UTC 2021 , Edited by admin on Fri Jun 25 22:27:37 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
Coordination with OATP1B3 inhibitors (e.g. rifampicin, cyclosporine, etc.) could lead to an increase in systemic exposure of the active metabolite.
TARGET -> INHIBITOR
THRX-195518 possesses activity at target muscarinic receptors that was slightly lower (approximately one-third to one-tenth) than revefenacin.
BINDING
Ki
TARGET -> INHIBITOR
THRX-195518 possesses activity at target muscarinic receptors that was slightly lower (approximately one-third to one-tenth) than revefenacin.
BINDING
Ki
TRANSPORTER -> SUBSTRATE
Coordination with OATP1B1 inhibitors (e.g. rifampicin, cyclosporine, etc.) could lead to an increase in systemic exposure of the active metabolite.
TARGET -> INHIBITOR
THRX-195518 possesses activity at target muscarinic receptors that was slightly lower (approximately one-third to one-tenth) than revefenacin.
BINDING
Ki
TARGET -> INHIBITOR
THRX-195518 possesses activity at target muscarinic receptors that was slightly lower (approximately one-third to one-tenth) than revefenacin.
BINDING
Ki
BINDER->LIGAND
TARGET -> INHIBITOR
THRX-195518 possesses activity at target muscarinic receptors that was slightly lower (approximately one-third to one-tenth) than revefenacin.
BINDING
Ki
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR