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Compound Detail

CHEMBL5400350

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Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCOCC4)C(F)(F)F)cc(C(=O)O)cc3s2)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400350
Phase Preclinical
Structure Type MOL
InChI Key MULPRMUSALJMRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

567.4
MW (Da)
4.83
ALogP
7
HBA
3
HBD
116.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2F3N4O5S
MW 567.37
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.57

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.0013 - Homo sapiens
Fu 0.001 - Mus musculus

Literature References

PubMed DOI Target Context # Activities
36634346 10.1021/acs.jmedchem.2c01597 Unchecked 5
36634346 10.1021/acs.jmedchem.2c01597 Acinetobacter baumannii 3
36634346 10.1021/acs.jmedchem.2c01597 Escherichia coli 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