Details of the Drug

General Information of Drug (ID: DMRNGD2)

Drug Name

Daprodustat

Synonyms

GSK1278863; Daprodustat; 960539-70-2; GSK1278863; UNII-JVR38ZM64B; GSK-1278863; JVR38ZM64B; N-((1,3-Dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycine; Daprodustat [USAN:INN]; GSK 1278863; Daprodustat(GSK1278863); Daprodustat; GSK1278863; Daprodustat (JAN/USAN/INN); GTPL8455; Daprodustat (GSK1278863); CHEMBL3544988; KS-00000M8Z; EX-A1121; BCP16766; s8171; AKOS027439964; Glycine, N-((1,3-dicyclohexylhexahydro-2,4,6-trioxo-5-pyrimidinyl)carbonyl)-; ZINC231226004; CS-5453; SB19761; DB11682; HY-17608; J3.560.573H; D10874

Indication

Disease Entry	ICD 11	Status	REF
Anaemia	3A90	Approved	[1]
Autism spectrum disorder	6A02	Phase 2	[2]
Diabetic foot ulcer	BD54	Phase 1	[3]
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ATC Code

B03XA07: Daprodustat

B03XA: Other antianemic preparations

B03X: OTHER ANTIANEMIC PREPARATIONS

B03: ANTIANEMIC PREPARATIONS

B: BLOOD AND BLOOD FORMING ORGANS

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

393.4

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H27N3O6
IUPAC Name: 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
Canonical SMILES: C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O
InChI: InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKey: RUEYEZADQJCKGV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 91617630
CAS Number: 960539-70-2
UNII: JVR38ZM64B
DrugBank ID: DB11682
TTD ID: D0F6JC
INTEDE ID: DR1824

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
HIF-prolyl hydroxylase 1 (HPH-1)	TTMHFRY	EGLN2_HUMAN	Inhibitor	[4]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2C8 (CYP2C8)_{Main DME}	DES5XRU	CP2C8_HUMAN	Substrate	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 216951.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8455).
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
5	Pharmacokinetics, pharmacodynamics and safety of single, oral doses of GSK1278863, a novel HIF-prolyl hydroxylase inhibitor, in healthy Japanese and Caucasian subjects. Drug Metab Pharmacokinet. 2015 Dec;30(6):410-8.