Details of the Drug

General Information of Drug (ID: DMO7JGS)

Drug Name

Metiamide

Synonyms

METIAMIDE; 34839-70-8; Methiamide; Metiamidum; Metiamida; F 92058; 1-Methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)thiourea; Metiamidum [INN-Latin]; Metiamida [INN-Spanish]; SKF 92058; NSC 307755; F-92058; CHEBI:6896; C9H16N4S2; UNII-3K7670861M; FPBPLBWLMYGIQR-UHFFFAOYSA-N; 1-Methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-2-thiourea; Thiourea, N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-; 3-Methyl-1-(2-((5-methyl-4-imidazolyl)methylthio)ethyl)thiourea; 3K7670861M; Urea, 1-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

244.4

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C9H16N4S2
IUPAC Name: 1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
Canonical SMILES: CC1=C(N=CN1)CSCCNC(=S)NC
InChI: InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKey: FPBPLBWLMYGIQR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1548992
ChEBI ID: CHEBI:6896
CAS Number: 34839-70-8
DrugBank ID: DB08805
TTD ID: D0W9LJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H2 receptor (H2R)	TTQHJ1K	HRH2_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	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: 1233).
2	Metiamide--an orally active histamine H2-receptor antagonist. 1973. Agents Actions. 1994 Dec;43(3-4):91-5; discussion 96.