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Compound Detail

CHEMBL3145420

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Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccccc4)c3=O)nc2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3145420
Phase Preclinical
Structure Type MOL
InChI Key MWMRPTYZFQYMLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.56
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O
MW 332.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.89

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