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Compound Detail

CHEMBL386610

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CC(C)CCOc1c2cccc1Cc1cc(CCC(=O)O)cc(c1O)Cc1cccc(c1OCCC(C)C)Cc1cc(CCC(=O)O)cc(c1O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386610
Phase Preclinical
Structure Type MOL
InChI Key SRAMAGLNVFTHDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

708.9
MW (Da)
8.66
ALogP
6
HBA
4
HBD
133.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H52O8
MW 708.89
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
17181157 10.1021/jm0610447 Escherichia coli 2
17181157 10.1021/jm0610447 Serratia marcescens 1
17181157 10.1021/jm0610447 Pseudomonas aeruginosa 1
17181157 10.1021/jm0610447 Salmonella typhimurium 1
17181157 10.1021/jm0610447 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine