LY-3031207

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NQ7VQ61PBC

Structure
InChI Key MBAHGUNQNAJTLD-UHFFFAOYSA-N
Smile CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1
InChI
InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19ClN4O2
Molecular Weight 334.81
AlogP 2.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 86.88
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 240-870 - - -
Enzyme Oxidoreductase
- - - - 9
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - -4-14

Cross References

Resources Reference
ChEMBL CHEMBL2152712
FDA SRS NQ7VQ61PBC
PDB 758
SureChEMBL SCHEMBL9931208
ZINC ZINC000095578298
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