TAK-220

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H41ClN4O3
Molecular Weight	553.135
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC3=CC=C(C=C3)C(N)=O)CC2)C4=CC=C(C)C(Cl)=C4

InChI

InChIKey=ASSJTMUEFHUKMJ-UHFFFAOYSA-N

InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)

HIDE SMILES / InChI

Molecular Formula	C31H41ClN4O3
Molecular Weight	553.135
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	Condition	Potency
C-C chemokine receptor type 5 19 Target ID: CHEMBL274 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16048963	Antagonist 2778		3.5 nM [IC50]

PubMed

Title	Date	PubMed
Highly potent inhibition of human immunodeficiency virus type 1 replication by TAK-220, an orally bioavailable small-molecule CCR5 antagonist.	2005 Aug	16048963
Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity.	2006 May 4	16640339
Isolation and characterization of human immunodeficiency virus type 1 resistant to the small-molecule CCR5 antagonist TAK-652.	2007 Feb	17116673

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:34 GMT 2023` Edited by `admin` on `Fri Dec 15 16:24:34 GMT 2023`
Record UNII	928QIN0R16
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAK-220

Common Name

English

4-PIPERIDINECARBOXAMIDE, 1-ACETYL-N-(3-(4-((4-(AMINOCARBONYL)PHENYL)METHYL)-1-PIPERIDINYL)PROPYL)-N-(3-CHLORO-4-METHYLPHENYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5275766

Created by admin on Fri Dec 15 16:24:34 GMT 2023 , Edited by admin on Fri Dec 15 16:24:34 GMT 2023

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CAS

333994-00-6

Created by admin on Fri Dec 15 16:24:34 GMT 2023 , Edited by admin on Fri Dec 15 16:24:34 GMT 2023

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FDA UNII

928QIN0R16

Created by admin on Fri Dec 15 16:24:34 GMT 2023 , Edited by admin on Fri Dec 15 16:24:34 GMT 2023

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EPA CompTox

DTXSID00187027

Created by admin on Fri Dec 15 16:24:34 GMT 2023 , Edited by admin on Fri Dec 15 16:24:34 GMT 2023

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