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Compound Detail

CHEMBL346411

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COc1ccc2nc3cc(Cl)ccc3c(Oc3ccc(C(C)=O)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346411
Phase Preclinical
Structure Type MOL
InChI Key ZWXYIVXXTIUDGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.8
MW (Da)
6.04
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.32
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 C22H16ClNO3
MW 377.83
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
12361395 10.1021/jm020102v Rattus norvegicus 8
12361395 10.1021/jm020102v RAW264.7 2
12361395 10.1021/jm020102v N9 2

Data from ChEMBL 36 via Core Engine