Details of the Drug

General Information of Drug (ID: DMBAX3P)

Drug Name

amthamine

Synonyms

Amthamine; 142437-67-0; 2-Amino-5-(2-aminoethyl)-4-methylthiazole; 5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine; Tocris-0668; 5-(2-aminoethyl)-4-methylthiazol-2-amine; AC1L2QR3; SCHEMBL400272; ZINC5099; GTPL4025; CHEMBL293762; BDBM22881; CTK8E9579; CHEBI:92694; DTXSID80162039; AKOS006271424; RL01758; NCGC00024719-01; NCGC00024719-02; 5-Thiazoleethanamine, 2-amino-4-methyl-; KB-47389; RT-011284; FT-0694778; 2-AMINO-4-METHYLTHIAZOLE-5-ETHANAMINE; L000107; J-007652

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

157.24

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H11N3S
IUPAC Name: 5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine
Canonical SMILES: CC1=C(SC(=N1)N)CCN
InChI: InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
InChIKey: LHVRFUVVRXGZPV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 126688
ChEBI ID: CHEBI:92694
CAS Number: 142437-67-0
TTD ID: D0I5CT

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
Interleukin-12 subunit alpha (IL12A)	OTDQT8GI	IL12A_HUMAN	Gene/Protein Processing	[3]
Interleukin-12 subunit beta (IL12B)	OT0JF8A3	IL12B_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	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: 4025).
2	N(G)-acylated aminothiazolylpropylguanidines as potent and selective histamine H(2) receptor agonists. ChemMedChem. 2009 Feb;4(2):232-40.
3	Histamine inhibits the production of interleukin-12 through interaction with H2 receptors. J Clin Invest. 1998 Nov 15;102(10):1866-73. doi: 10.1172/JCI3692.