1-PIPERAZINEACETAMIDE, 4-ETHYL-N-(4-(2-(4-MORPHOLINYL)-4-OXO-4H-1-BENZOPYRAN-8-YL)-1-DIBENZOTHIENYL)-, HYDROCHLORIDE (1:3)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H34N4O4S.3ClH
Molecular Weight	692.095
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-PIPERAZINEACETAMIDE, 4-ETHYL-N-(4-(2-(4-MORPHOLINYL)-4-OXO-4H-1-BENZOPYRAN-8-YL)-1-DIBENZOTHIENYL)-, HYDROCHLORIDE (1:3)

Structure Search

SMILES

Cl.Cl.Cl.CCN1CCN(CC(=O)NC2=C3C4=C(SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7)C=CC=C4)CC1

InChI

InChIKey=UPQYIHWLJGXREE-UHFFFAOYSA-N

InChI=1S/C33H34N4O4S.3ClH/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37;;;/h3-11,20H,2,12-19,21H2,1H3,(H,34,39);3*1H

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Potency
PI3-kinase p110-delta subunit 43 Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23855836	Inhibitor 8504
DNA-dependent protein kinase 11 Target ID: CHEMBL3142 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23855836	Inhibitor 8504	5.0 nM [IC50]
PI3-kinase p110-alpha subunit 41 Target ID: CHEMBL4005 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23855836	Inhibitor 8504	0.004 µM [IC50]
PI3-kinase p110-beta subunit 31 Target ID: CHEMBL3145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23855836	Inhibitor 8504	5.0E-4 µM [IC50]

Name

Type

Language

1-PIPERAZINEACETAMIDE, 4-ETHYL-N-(4-(2-(4-MORPHOLINYL)-4-OXO-4H-1-BENZOPYRAN-8-YL)-1-DIBENZOTHIENYL)-, HYDROCHLORIDE (1:3)

Preferred Name

English

Code System Code Type Description

CAS

2108486-82-2

Created by admin on Wed Apr 02 13:00:36 GMT 2025 , Edited by admin on Wed Apr 02 13:00:36 GMT 2025

PRIMARY

FDA UNII

HY7P3BVH45

Created by admin on Wed Apr 02 13:00:36 GMT 2025 , Edited by admin on Wed Apr 02 13:00:36 GMT 2025

PRIMARY

PUBCHEM

91826474

Created by admin on Wed Apr 02 13:00:36 GMT 2025 , Edited by admin on Wed Apr 02 13:00:36 GMT 2025

PRIMARY

ACTIVE MOIETY


					LM6DZS6PYA

KU-0060648

SUBSTANCE RECORD


					HY7P3BVH45

1-PIPERAZINEACETAMIDE, 4-ETHYL-N-(4-(2-(4-MORPHOLINYL)-4-OXO-4H-1-BENZOPYRAN-8-YL)-1-DIBENZOTHIENYL)-, HYDROCHLORIDE (1:3)