KU-0060648

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H34N4O4S
Molecular Weight	582.712
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=AATCBLYHOUOCTO-UHFFFAOYSA-N

InChI=1S/C33H34N4O4S/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)

HIDE SMILES / InChI

Molecular Formula	C33H34N4O4S
Molecular Weight	582.712
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:36:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:17 GMT 2025`
Record UNII	LM6DZS6PYA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KU-0060648

Code

English

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

Preferred Name

English

KU0060648

Code

English

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

Systematic Name

English

2-(4-ETHYLPIPERAZIN-1-YL)-N-(4-(2-MORPHOLIN-4-YL-4-OXOCHROMEN-8-YL)DIBENZOTHIOPHEN-1-YL)ACETAMIDE

Systematic Name

English

Code System Code Type Description

CAS

881375-00-4

Created by admin on Mon Mar 31 22:36:17 GMT 2025 , Edited by admin on Mon Mar 31 22:36:17 GMT 2025

PRIMARY

PUBCHEM

11964036

Created by admin on Mon Mar 31 22:36:17 GMT 2025 , Edited by admin on Mon Mar 31 22:36:17 GMT 2025

PRIMARY

FDA UNII

LM6DZS6PYA

Created by admin on Mon Mar 31 22:36:17 GMT 2025 , Edited by admin on Mon Mar 31 22:36:17 GMT 2025

PRIMARY

Related Record Type Details


					HY7P3BVH45

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

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					LM6DZS6PYA

KU-0060648

ACTIVE MOIETY