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Compound Detail

CHEMBL4070424

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O=C(Nc1n[nH]c2cc(-c3ccc4[nH]cnc4c3)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070424
Phase Preclinical
Structure Type MOL
InChI Key RAWUVGRVNCCFIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.45
ALogP
3
HBA
3
HBD
86.5
PSA (Ų)
0.54
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 C18H15N5O
MW 317.35
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
28705644 10.1016/j.bmcl.2017.07.004 HepG2 1

Data from ChEMBL 36 via Core Engine