PHA-408

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H27ClFN7O2
Molecular Weight	560.022
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C2=NC=C(Cl)C(=C2)C(=O)NC3=CC=C4CCC5=C(N(N=C5C(N)=O)C6=CC=C(F)C=C6)C4=C3

InChI

InChIKey=ZLEZHGHFWIHCGU-UHFFFAOYSA-N

InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)

HIDE SMILES / InChI

Molecular Formula	C29H27ClFN7O2
Molecular Weight	560.022
Charge	0
Count

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

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Inhibitor of nuclear factor kappa-B kinase subunit beta 5 Target ID: O14920 Gene ID: 3551.0 Gene Symbol: IKBKB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19168710 \| https://www.ncbi.nlm.nih.gov/pubmed/19478133	Inhibitor 8297		40.0 nM [IC50]

PubMed

Title	Date	PubMed
A novel, highly selective, tight binding IkappaB kinase-2 (IKK-2) inhibitor: a tool to correlate IKK-2 activity to the fate and functions of the components of the nuclear factor-kappaB pathway in arthritis-relevant cells and animal models.	2009 Apr	19168710
Novel tight-binding inhibitory factor-kappaB kinase (IKK-2) inhibitors demonstrate target-specific anti-inflammatory activities in cellular assays and following oral and local delivery in an in vivo model of airway inflammation.	2009 Aug	19478133

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:03 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:03 GMT 2023`
Record UNII	8K8XT2KBG3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHA-408

Code

English

8-((5-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)ISONICOTINOYL)AMINO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-BENZO(G)INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

1H-BENZ(G)INDAZOLE-3-CARBOXAMIDE, 8-(((5-CHLORO-2-(4-METHYL-1-PIPERAZINYL)-4-PYRIDINYL)CARBONYL)AMINO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-

Systematic Name

English

PHA408

Code

English

Code System Code Type Description

FDA UNII

8K8XT2KBG3

Created by admin on Sat Dec 16 11:07:03 GMT 2023 , Edited by admin on Sat Dec 16 11:07:03 GMT 2023

PRIMARY

PUBCHEM

22291652

Created by admin on Sat Dec 16 11:07:03 GMT 2023 , Edited by admin on Sat Dec 16 11:07:03 GMT 2023

PRIMARY

CAS

503555-55-3

Created by admin on Sat Dec 16 11:07:03 GMT 2023 , Edited by admin on Sat Dec 16 11:07:03 GMT 2023

PRIMARY

Related Record Type Details


					8K8XT2KBG3

PHA-408

ACTIVE MOIETY