Details of the Drug

General Information of Drug (ID: DMDPN4E)

Drug Name

WO2013110309CA127

Synonyms

A-127; GTPL8169; BDBM50011235

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)

408.5

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C20H24N8O2
IUPAC Name: 2-[2-[4-[5-[(1-ethylpyrazol-3-yl)amino]triazolo[4,5-d]pyrimidin-1-yl]phenyl]propan-2-yloxy]ethanol
Canonical SMILES: CCN1C=CC(=N1)NC2=NC=C3C(=N2)N=NN3C4=CC=C(C=C4)C(C)(C)OCCO
InChI: InChI=1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)
InChIKey: XNAMZBCMLZQBIC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Eukaryotic translation initiation factor 2-alpha kinase 4 (EIF2AK4)	TT9U4EP	E2AK4_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The GCN2-ATF4 pathway is critical for tumour cell survival and proliferation in response to nutrient deprivation. EMBO J. 2010 Jun 16;29(12):2082-96.
2	Triazolo[4,5-d]pyrimidine Derivatives as Inhibitors of GCN2. ACS Med Chem Lett. 2014 Feb 12;5(4):282-3.