GSK2879552

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
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(%)
Enzyme Oxidoreductase
- 20000 - 520000 -
Enzyme Transferase
- - - - 12.79-14.25
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 8.19-59.28
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
54 24-403900 - 9.6-1700 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 80000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
20000 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
20000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 80000 - - -

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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