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Compound Detail

CHEMBL59252

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O=C(Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59252
Phase Preclinical
Structure Type MOL
InChI Key AAVILCDUPZKHQQ-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
7.82
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.30
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 C28H19ClN2O2
MW 450.93
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
15055990 10.1021/jm030540h Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine