Details of the Drug

General Information of Drug (ID: DMT3V2W)

Drug Name
GSK2879552
Indication
Disease Entry ICD 11 Status REF
Small-cell lung cancer 2C25.Y Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.5
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H28N2O2
IUPAC Name
4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
Canonical SMILES
C1CN(CCC1CN[C@@H]2C[C@H]2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
InChIKey
LRULVYSBRWUVGR-FCHUYYIVSA-N
Cross-matching ID
PubChem CID
66571643
ChEBI ID
CHEMBL3786182
CAS Number
1401966-69-5
UNII
GT77Z6Y09Z
DrugBank ID
DB16895
TTD ID
D0I4ZN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysine-specific histone demethylase 1 (LSD) TTNR0UQ KDM1A_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Small-cell lung cancer
ICD Disease Classification 2C25.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Lysine-specific histone demethylase 1 (LSD) DTT KDM1A 1.51E-76 0.51 1.91
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02034123) Investigation of GSK2879552 in Subjects With Relapsed/Refractory Small Cell Lung Carcinoma. U.S. National Institutes of Health.
2 A DNA Hypomethylation Signature Predicts Antitumor Activity of LSD1 Inhibitors in SCLC. Cancer Cell. 2015 Jul 13;28(1):57-69.