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Compound Detail

CHEMBL3342829

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COC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342829
Phase Preclinical
Structure Type MOL
InChI Key GOUQSHOAAGQXNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

515.7
MW (Da)
5.60
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.34
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H41NO4
MW 515.69
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.35

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