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Compound Detail

CHEMBL4105124

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O=C1Cc2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105124
Phase Preclinical
Structure Type MOL
InChI Key UJHJCMVEPRIKRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.07
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.69
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 C19H16N4O2
MW 332.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.23

Literature References

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

Data from ChEMBL 36 via Core Engine