Details of the Drug

General Information of Drug (ID: DM796RI)

Drug Name

ZYAN1

Synonyms

Desidustat; 1616690-16-4; UNII-Y962PQA4KS; Y962PQA4KS; 1,2-dihydroquinoline-3-carbonyl]glycine; N-[1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-; 2-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid; ZYAN1 compound; Desidustat [INN]; SCHEMBL15846922; BCP29692; EX-A2999; s9699; ZB1514; CS-8034; BS-16050; HY-103227; A16921; 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid; Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)-; N-(1-(Cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine

Indication

Disease Entry	ICD 11	Status	REF
Anaemia	3A90	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

332.31

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C16H16N2O6
IUPAC Name: 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
Canonical SMILES: C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
InChI: InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)
InChIKey: IKRKQQLJYBAPQT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 75593290
CAS Number: 1616690-16-4
TTD ID: DE8OJ0

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HIF-prolyl hydroxylase (HPH)	TTJQFBG	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Anaemia

ICD Disease Classification

3A90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
HIF-prolyl hydroxylase (HPH)	DTT	NO-GeName	7.70E-01	4.40E-03	0.02

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Targeting iron metabolism in drug discovery and delivery. Nat Rev Drug Discov. 2017 Jun;16(6):400-423.
2	Pharmacological Characterization of ZYAN1, a Novel Prolyl Hydroxylase Inhibitor for the Treatment of Anemia. Drug Res (Stuttg). 2016 Feb;66(2):107-12.