GSK2879552

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: GT77Z6Y09Z

Structure
InChI Key LRULVYSBRWUVGR-FCHUYYIVSA-N
Smile O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N2O2
Molecular Weight 364.49
AlogP 3.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 52.57
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
54 24-1200 - 10-1700 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3786182
FDA SRS GT77Z6Y09Z
Guide to Pharmacology 9116
SureChEMBL SCHEMBL12813936
ZINC ZINC000147144800
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