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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H38N2O2
Molecular Weight 434.6146
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SER-601

SMILES

CCCCCn1cc(c(=O)c2cc(ccc21)C(C)C)C(=NC34CC5CC(CC(C5)C3)C4)O

InChI

InChIKey=KUMKLUDNETVLDS-UHFFFAOYSA-N
InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)

HIDE SMILES / InChI

Molecular Formula C28H38N2O2
Molecular Weight 434.6146
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
6.3 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:20:40 UTC 2021
Edited
by admin
on Sat Jun 26 09:20:40 UTC 2021
Record UNII
S723GJY405
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SER-601
Code English
COR-167
Code English
3-QUINOLINECARBOXAMIDE, 1,4-DIHYDRO-6-(1-METHYLETHYL)-4-OXO-1-PENTYL-N-TRICYCLO(3.3.1.13,7)DEC-1-YL-
Systematic Name English
1,4-DIHYDRO-6-(1-METHYLETHYL)-4-OXO-1-PENTYL-N-TRICYCLO(3.3.1.13,7)DEC-1-YL-3-QUINOLINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
1048038-90-9
Created by admin on Sat Jun 26 09:20:40 UTC 2021 , Edited by admin on Sat Jun 26 09:20:40 UTC 2021
PRIMARY
PUBCHEM
25034551
Created by admin on Sat Jun 26 09:20:40 UTC 2021 , Edited by admin on Sat Jun 26 09:20:40 UTC 2021
PRIMARY
FDA UNII
S723GJY405
Created by admin on Sat Jun 26 09:20:40 UTC 2021 , Edited by admin on Sat Jun 26 09:20:40 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY