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Compound Detail

CHEMBL3353339

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O=C1Nc2ccccc2[C@]12C[C@@H]2c1ccc2cn[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353339
Phase Preclinical
Structure Type MOL
InChI Key RJUIETDWZAGQNR-DYVFJYSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
2.94
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O
MW 275.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
24867403 10.1021/jm5005336 Cytochrome P450 2C19 1
24867403 10.1021/jm5005336 Cytochrome P450 2C9 1
24867403 10.1021/jm5005336 Cytochrome P450 1A2 1
24867403 10.1021/jm5005336 Vascular endothelial growth factor receptor 2 1
24867403 10.1021/jm5005336 Receptor-type tyrosine-protein kinase FLT3 1
24867403 10.1021/jm5005336 Serine/threonine-protein kinase PLK4 1
24867403 10.1021/jm5005336 Cytochrome P450 2D6 1
24867403 10.1021/jm5005336 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine