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Compound Detail

CHEMBL2331867

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CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331867
Phase Preclinical
Structure Type MOL
InChI Key QNGSRZAVORFRJE-CPESWEKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.39
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H23NO2
MW 429.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
23352268 10.1016/j.bmcl.2012.12.069 Mycobacterium tuberculosis 4
23352268 10.1016/j.bmcl.2012.12.069 Vero 1

Data from ChEMBL 36 via Core Engine