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Compound Detail

CHEMBL3145434

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O=c1c(Cc2ccccc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3145434
Phase Preclinical
Structure Type MOL
InChI Key AOLXMSFMEMCRMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.30
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4O
MW 366.42
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
24461353 10.1016/j.bmcl.2014.01.008 Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 2

Data from ChEMBL 36 via Core Engine