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Compound Detail

CHEMBL3342836

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CC(C)(C)c1ccc(C(N)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342836
Phase Preclinical
Structure Type MOL
InChI Key KPWHXOJHPMRTCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
6.41
ALogP
3
HBA
2
HBD
49.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42N2O
MW 470.70
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.54

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