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]
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
CHEMBL92694
CAS Number
142437-67-0
TTD ID
D0I5CT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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]
Molecular Interaction Atlas (MIA) 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.