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Compound Detail

CHEMBL5404004

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COCCOc1cc(C(=O)O)cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404004
Phase Preclinical
Structure Type MOL
InChI Key QDSNDCHUZFFABV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
4.22
ALogP
6
HBA
3
HBD
113.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl2N3O5S
MW 444.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.60

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.001 - Homo sapiens
Fu 0.004 - 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