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Compound Detail

CHEMBL5431786

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Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccc(S(C)(=O)=O)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431786
Phase Preclinical
Structure Type MOL
InChI Key LFFMRQPDVZWFCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
7
Publications
0
Known Names

Molecular Properties

568.5
MW (Da)
5.73
ALogP
7
HBA
3
HBD
138.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19Cl2N3O6S2
MW 568.46
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.56

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.0001 - Homo sapiens
Fu 0.0325 - Mus musculus
T1/2 1.667 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
36634346 10.1021/acs.jmedchem.2c01597 Unchecked 5
36634346 10.1021/acs.jmedchem.2c01597 ADMET 3
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 DNA gyrase subunit B 1
36634346 10.1021/acs.jmedchem.2c01597 No relevant target 1

Data from ChEMBL 36 via Core Engine