Details of the Drug

General Information of Drug (ID: DMW6F0S)

Drug Name

Mizoribine

Synonyms

Bredinin; Bredinine; MZR; Mizoribina; Mizoribinum; M 3047; Bredinin (TN); HE-69; HS-0046; Mizoribina [INN-Spanish]; Mizoribine [INN:JAN]; Mizoribinum [INN-Latin]; Mizoribine (JAN/INN); Bredinin, HE 69, NSC 289637, MZB, Mizoribine; Anhydro-4-carbamoyl-5-hydroxy-1-beta-D-ribofuranosyl-imidazolium hydroxide; N'-(beta-D-Ribofuranosyl)-5-hydroxyimidazole-4-carboxamide; N'-(beta-D-Ribofuranosyl)-5-hydroxy-imida-zole-4-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide;4-Carbamoyl-1-beta-D-ribofuranosyl-imidazolium-5-olate; 4-carbamoyl-1-b-d-ribofuranosylimidazolium-5-olate; 5-Hydroxy-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide; 5-Hydroxy-1-beta-D-ribofuranosylimidazole-4-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Transplant rejection	NE84	Approved	[1]
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Therapeutic Class

Antimetabolites

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

259.22

Logarithm of the Partition Coefficient (xlogp)

-1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C9H13N3O6
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
Canonical SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N
InChI: InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
InChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-N

Cross-matching ID

PubChem CID: 104762
ChEBI ID: CHEBI:31858
CAS Number: 50924-49-7
DrugBank ID: DB12617
TTD ID: D0G5AG

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1)	TTL7C8Q	IMDH1_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2	VX-497: a novel, selective IMPDH inhibitor and immunosuppressive agent. J Pharm Sci. 2001 May;90(5):625-37.
3	Profiling the immunotoxicity of chemicals based on in vitro evaluation by a combination of the Multi-ImmunoTox assay and the IL-8 Luc assay. Arch Toxicol. 2018 Jun;92(6):2043-2054. doi: 10.1007/s00204-018-2199-7. Epub 2018 Mar 29.