General Information of Drug (ID: DMTJGBL)

Drug Name
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
Synonyms CHEMBL611630; 4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H16N6O
IUPAC Name
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
Canonical SMILES
C1COCCN1C2=NC(=NC3=C2NC=N3)C4=CC5=C(C=C4)C=CN5
InChI
InChI=1S/C17H16N6O/c1-2-12(9-13-11(1)3-4-18-13)15-21-16-14(19-10-20-16)17(22-15)23-5-7-24-8-6-23/h1-4,9-10,18H,5-8H2,(H,19,20,21,22)
InChIKey
LYJKHCYTQHFQLX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46225260
TTD ID
D0Y1DR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase mTOR (mTOR) TTCJG29 MTOR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serine/threonine-protein kinase mTOR (mTOR) DTT MTOR 2.16E-05 -0.44 -2.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel purine and pyrazolo[3,4-d]pyrimidine inhibitors of PI3 kinase-alpha: Hit to lead studies. Bioorg Med Chem Lett. 2010 Jan 15;20(2):636-9.