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Compound Detail

CHEMBL3342822

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COc1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342822
Phase Preclinical
Structure Type MOL
InChI Key AKBDKFYJKSQTGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
5.16
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35NO3
MW 445.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
25238555 10.1021/jm5010682 Staphylococcus aureus 1
25238555 10.1021/jm5010682 DNA gyrase 1
25238555 10.1021/jm5010682 Unchecked 1

Data from ChEMBL 36 via Core Engine