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Compound Detail

CHEMBL5563824

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C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(-c3ccc(Cn4cnc5c(N)nc(N)nc54)cc3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL5563824
Phase Preclinical
Structure Type MOL
InChI Key PBAXYQVAHBLNPD-VJQSGHSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

667.8
MW (Da)
4.20
ALogP
13
HBA
3
HBD
189.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H45N9O4
MW 667.81
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
38385364 10.1021/acs.jmedchem.3c02153 Enterococcus faecium 2
38385364 10.1021/acs.jmedchem.3c02153 No relevant target 1
38385364 10.1021/acs.jmedchem.3c02153 Unchecked 1
38385364 10.1021/acs.jmedchem.3c02153 Staphylococcus aureus 1
38385364 10.1021/acs.jmedchem.3c02153 Streptococcus pneumoniae 1
38385364 10.1021/acs.jmedchem.3c02153 Enterococcus faecalis 1
38385364 10.1021/acs.jmedchem.3c02153 MDCK-MDR1 1

Data from ChEMBL 36 via Core Engine