Details of the Drug

General Information of Drug (ID: DMQDN46)

Drug Name

PLN-74809

Synonyms

Bexotegrast; PLN-74809; 2376257-44-0; QCV154PFT4; Pln 74809; Bexotegras; (2S)-4-(2-Methoxyethyl-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl)amino)-2-(quinazolin-4-ylamino)butanoic acid; (2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid; Bexotegras [INN]; Butanoic acid, 4-((2-methoxyethyl)(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl)amino)-2-(4-quinazolinylamino)-, (2S)-; Butanoic acid, 4-[(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(4-quinazolinylamino)-, (2S)-; bexotegrast [INN]; UNII-QCV154PFT4; CHEMBL5095257; SCHEMBL21329445; GTPL12108; US10793564, Compound 5; BDBM465216; GLXC-26826; (S)-4-((2-Methoxyethyl)(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl)amino)-2-(quinazolin-4-ylamino)butanoic acid; PLN 74809 [WHO-DD]; PLN74809; US10793564, Compound 55; BDBM50594476; AKOS040757614; MS-29155; HY-137561; CS-0140405; (S)-4-[(2-Methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(quinazolin-4-yl)amino]butanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Idiopathic pulmonary fibrosis	CB03.4	Phase 2	[1]
Primary sclerosing cholangitis	DB96.2	Phase 2	[2]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C27H36N6O3
Canonical SMILES: COCCN(CCCCC1=NC2=C(CCCN2)C=C1)CCC(C(=O)O)NC3=NC=NC4=CC=CC=C43
InChI: InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1
InChIKey: CWOFQJBATWQSHL-DEOSSOPVSA-N

Cross-matching ID

PubChem CID: 135390719
TTD ID: D3MG8W

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-5/beta-1 (ITGA5/B1)	TTHWZMR	ITAV_HUMAN-ITB1_HUMAN	Inhibitor	[3]
Integrin alpha-V/beta-6 (ITGAV/B6)	TTIQSVM	ITAV_HUMAN-ITB6_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT05621252) A Phase 2a, Randomized, Double-Blind, Placebo-Controlled, Evaluation of PLN-74809 on Type 1 Collagen Deposition Using 68Ga-CBP8 PET/MRI Imaging in Participants With Idiopathic Pulmonary Fibrosis (IPF). U.S.National Institutes of Health.
2	ClinicalTrials.gov (NCT04480840) A Randomized, Double-blind, Dose-ranging, Placebo-controlled, Phase 2a Evaluation of the Safety, Tolerability, and Pharmacokinetics of PLN-74809 in Participants With Primary Sclerosing Cholangitis (PSC) and Suspected Liver Fibrosis (INTEGRIS-PSC). U.S.National Institutes of Health.
3	Dual inhibition of alpha(v)beta(6) and alpha(v)beta(1) reduces fibrogenesis in lung tissue explants from patients with IPF. Respir Res. 2021 Oct 19;22(1):265.