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Compound Detail

CHEMBL3343210

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CC1(c2ccc(CCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343210
Phase Preclinical
Structure Type MOL
InChI Key CGTBOBVOCAPXML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
5.17
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35NO2
MW 441.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.27

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