BALICATIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H33N5O2
Molecular Weight	411.5404
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChIKey=LLCRBOWRJOUJAE-UHFFFAOYSA-N

InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)

HIDE SMILES / InChI

Description

Balicatib is a potent cathepsine K inhibitor that was developed for the treatment of knee osteoarthritis. The development of Balicatib was terminated in phase II due to the occurrence of skin rashes and rarer incidences of morphea-like skin changes.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cathepsin K 4	Inhibitor 8,504		1.4 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Osteoarthritis of knee 23	Primary		Phase II 1,147	Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2,252	inhibitor 2,438	inhibitor 2,507

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1,741

Drug as perpetrator

Show entries

Target	Modality	Activity
CYP2C9 2,497	inhibitor 4,027	no
CYP2D6 2,546	inhibitor 4,027	no
CYP3A4 2,633	inhibitor 4,027	no
P-gp 1,932	inhibitor 4,027	no

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
1PlusChem LLC	1P00C6V1	https://www.1pchem.com/search?query=1P00C6V1
AChemBlock	O33814	http://www.achemblock.com/catalogsearch/result/?q=O33814
Angene	AGN-PC-0WH9O8	http://www.angenechemical.com/productshow/AGN-PC-0WH9O8.html
ApexBio Technology	B3265	https://www.apexbt.com/catalogsearch/result/?q=B3265
AstaTech	41237	http://astatechinc.com/CPSResult.php?CRNO=41237

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PubMed

Title	Date	PubMed
No data available in table

Patents

Sample Use Guides

In Vivo Use Guide

Patients receive 10, 25 or 50 mg tablets daily.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Show entries

Name

Type

Language

AAE-581

Preferred Name

English

BALICATIB

Official Name

English

AAE581

Code

English

Balicatib [WHO-DD]

Common Name

English

N-(1-((CYANOMETHYL)CARBAMOYL)CYCLOHEXYL)-4-(4-PROPYLPIPERAZIN-1-YL)BENZAMIDE

Systematic Name

English

Showing 1 to 5 of 6 entries

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Classification Tree

Code System

Code

Agent Affecting Musculoskeletal System

NCI_THESAURUS

C67439

Pharmacologic Substance

NCI_THESAURUS

C471

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Show entries

Code System

Code

Type

Description

ChEMBL

CHEMBL371064

PRIMARY

DRUG BANK

DB12239

PRIMARY

NCI_THESAURUS

C79521

PRIMARY

MESH

C529767

PRIMARY

EPA CompTox

DTXSID10188989

PRIMARY

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ACTIVE MOIETY


					E00MVC7O57

BALICATIB

SALT/SOLVATE (PARENT)


					C4P2GHS8LP

BALICATIB MALEATE

SMILES

InChI

Originator

Approval Year

Targets

Conditions

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

Drug as perpetrator