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Compound Detail

CHEMBL5422155

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Cc1[nH]c(C(=O)Nc2nc3c(OCc4cc[n+](C)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422155
Phase Preclinical
Structure Type MOL
InChI Key ZNXQUJVROAIFKE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

492.4
MW (Da)
4.59
ALogP
5
HBA
3
HBD
108.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17Cl2N4O4S+
MW 492.36
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.002 - Homo sapiens
Fu 0.108 - Mus musculus

Literature References

PubMed DOI Target Context # Activities
36634346 10.1021/acs.jmedchem.2c01597 Unchecked 5
36634346 10.1021/acs.jmedchem.2c01597 Escherichia coli 2
36634346 10.1021/acs.jmedchem.2c01597 Acinetobacter baumannii 2
36634346 10.1021/acs.jmedchem.2c01597 Pseudomonas aeruginosa 2
36634346 10.1021/acs.jmedchem.2c01597 ADMET 2
36634346 10.1021/acs.jmedchem.2c01597 DNA gyrase subunit B 1
36634346 10.1021/acs.jmedchem.2c01597 No relevant target 1

Data from ChEMBL 36 via Core Engine