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Compound Detail

CHEMBL414812

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CN(C)CCNC(=O)COc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL414812
Phase Preclinical
Structure Type MOL
InChI Key VMZQREIXSNGBPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

680.9
MW (Da)
3.89
ALogP
8
HBA
4
HBD
123.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H48N4O6
MW 680.85
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -0.32

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 Klebsiella pneumoniae 1
17181157 10.1021/jm0610447 Salmonella typhimurium 1

Data from ChEMBL 36 via Core Engine