Details of the Drug

General Information of Drug (ID: DMZUTXW)

Drug Name
GSK1511931
Synonyms GSK1511931A; GSK-1511931; compound 14 [PMID: 19081716]
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): 2 Molecular Weight (mw) 508.6
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C29H32N8O
IUPAC Name
2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-N-quinolin-5-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Canonical SMILES
CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC6=C5C=CC=N6)OC
InChI
InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)
InChIKey
PEPOAPKYASCEKL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44581765
TTD ID
D0E4LC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
IGF1R messenger RNA (IGF1R mRNA) TTQFBMY IGF1R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Optimization of a series of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine inhibitors of IGF-1R: elimination of an acid-mediated decomposition pathway. Bioorg Med Chem Lett. 2009 Jan 15;19(2):373-7.