Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H26ClNO4S |
| Molecular Weight | 471.9982 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCc2cc(c(cc2CC1)S(=O)(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)OC
InChI
InChIKey=HIBWHHQXUSKNOV-UHFFFAOYSA-N
InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3
| Molecular Formula | C25H26ClNO4S |
| Molecular Weight | 471.9982 |
| 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
Edited
Sat Jun 26 11:58:57 UTC 2021
by
admin
on
Sat Jun 26 11:58:57 UTC 2021
|
| Record UNII |
ZNP5SNF9FY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
630407-66-8
Created by
admin on Sat Jun 26 11:58:57 UTC 2021 , Edited by admin on Sat Jun 26 11:58:57 UTC 2021
|
PRIMARY | |||
|
11467403
Created by
admin on Sat Jun 26 11:58:57 UTC 2021 , Edited by admin on Sat Jun 26 11:58:57 UTC 2021
|
PRIMARY | |||
|
ZNP5SNF9FY
Created by
admin on Sat Jun 26 11:58:57 UTC 2021 , Edited by admin on Sat Jun 26 11:58:57 UTC 2021
|
PRIMARY | |||
|
1111896-95-7
Created by
admin on Sat Jun 26 11:58:57 UTC 2021 , Edited by admin on Sat Jun 26 11:58:57 UTC 2021
|
NO STRUCTURE GIVEN |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IN-VIVO HUMAN HUMAN OCCUPANCY LEVEL; 30% D2 occupancy at Tmax, maintained at trough
ANTAGONIST
EC50
|
||
|
TARGET -> INHIBITOR |
IN-VIVO HUMAN HUMAN OCCUPANCY LEVEL; . 5-HT2A occupancy ranged from 91% to 100% when dosed at 56 mg
ANTAGONIST
EC50
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
||
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
||
|
METABOLIC ENZYME -> SUBSTRATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
