Details of the Drug

General Information of Drug (ID: DME53D6)

Drug Name

[125I]ZM-241385

Synonyms

[125I]ZM-241385; GTPL430

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)

461.23

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C16H14IN7O2
IUPAC Name: 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-(125I)iodanylphenol
Canonical SMILES: C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC(=C(C=C4)O)[125I])N
InChI: InChI=1S/C16H14IN7O2/c17-10-8-9(3-4-11(10)25)5-6-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-26-12/h1-4,7-8,25H,5-6H2,(H3,18,19,20,21,22,23)/i17-2
InChIKey: RVECQPQWOUQTSZ-QZIRHQCUSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Antagonist	[2]

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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: 430).
2	125I-4-(2-[7-amino-2-[2-furyl][1,2,4]triazolo[2,3-a][1,3,5] triazin-5-yl-amino]ethyl)phenol, a high affinity antagonist radioligand selective for the A2a adenosine receptor. Mol Pharmacol. 1995 Dec;48(6):970-4.