Details of the Drug

General Information of Drug (ID: DMA4NI2)

Drug Name

Dimaprit

Synonyms

Dimaprit; 65119-89-3; UNII-ZZQ699148P; BRN 2350552; CHEMBL12344; 3-(dimethylamino)propyl imidothiocarbamate; 3-(dimethylamino)propyl carbamimidothioate; CARBAMIMIDOTHIOIC ACID, 3-(DIMETHYLAMINO)PROPYL ESTER; CHEBI:81389; ZZQ699148P; Pseudourea, 2-(3-(dimethylamino)propyl)-2-thio-; [3-(carbamimidoylsulfanyl)propyl]dimethylamine; Carbamimidothioicacid, 3-(dimethylamino)propyl ester; C6H15N3S; AE-641/25069014; Tocris-0506; AC1Q1UAQ; Prestwick0_000983; Prestwick3_000983; Prestwick2_000983; Prestwick1_000983; AC1L1F4E; BSPBio_001045

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)

161.27

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H15N3S
IUPAC Name: 3-(dimethylamino)propyl carbamimidothioate
Canonical SMILES: CN(C)CCCSC(=N)N
InChI: InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
InChIKey: OLHQOJYVQUNWPL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3077
ChEBI ID: CHEBI:81389
CAS Number: 65119-89-3
TTD ID: D0O3NG

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	Agonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interferon gamma (IFNG)	OTXG9JM7	IFNG_HUMAN	Gene/Protein Processing	[3]
Interleukin-5 (IL5)	OTAFPSCO	IL5_HUMAN	Gene/Protein Processing	[3]
Myc proto-oncogene protein (MYC)	OTPV5LUK	MYC_HUMAN	Gene/Protein Processing	[4]
Pro-interleukin-16 (IL16)	OTZ2MO6B	IL16_HUMAN	Gene/Protein Processing	[5]
Protein c-Fos (FOS)	OTJBUVWS	FOS_HUMAN	Gene/Protein Processing	[4]
Transcription factor Jun (JUN)	OTCYBO6X	JUN_HUMAN	Gene/Protein Processing	[4]

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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: 1248).
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	Histamine H4 receptor agonists have more activities than H4 agonism in antigen-specific human T-cell responses. Immunology. 2007 Jun;121(2):266-75. doi: 10.1111/j.1365-2567.2007.02574.x. Epub 2007 Mar 7.
4	Histamine modulates the expression of c-fos through cyclic AMP production via the H2 receptor in the human promonocytic cell line U937. Mol Pharmacol. 1997 Jun;51(6):983-90. doi: 10.1124/mol.51.6.983.
5	Histamine h(4) and h(2) receptors control histamine-induced interleukin-16 release from human CD8(+) T cells. J Pharmacol Exp Ther. 2002 Oct;303(1):300-7. doi: 10.1124/jpet.102.036939.