ETC-159

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Synonyms
Status
Molecule Category Free-form
UNII 5L854240DQ

Structure

InChI Key QTRXIFVSTWXRJJ-UHFFFAOYSA-N
Smiles Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O
InChI
InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N7O3
Molecular Weight 391.39
AlogP 0.53
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 116.7
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 2.9-18.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.9-2.9 - - -
Mus musculus
- 18.1 - - -
Xenopus
- 70 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3633802
FDA SRS 5L854240DQ
Guide to Pharmacology 11168
PubChem 86280523
SureChEMBL SCHEMBL17626176
ZINC ZINC000175660737
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