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Compound Detail

CHEMBL518091

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O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518091
Phase Preclinical
Structure Type MOL
InChI Key NKKIHIVTONASCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
5.88
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O
MW 392.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
18304819 10.1016/j.bmc.2008.02.020 Nuclear receptor subfamily 1 group I member 2 1

Data from ChEMBL 36 via Core Engine