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Compound Detail

CHEMBL3747032

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CSc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747032
Phase Preclinical
Structure Type MOL
InChI Key PBSDJVQSEJMJIN-UHFFFAOYSA-N
Parent Compound CHEMBL3747963
Active Moiety CHEMBL3747963
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

310.5
MW (Da)
4.22
ALogP
3
HBA
1
HBD
30.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN2S
MW 346.93
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
26588190 10.1021/acs.jmedchem.5b01482 Unchecked 2
26588190 10.1021/acs.jmedchem.5b01482 Staphylococcus aureus 2
26588190 10.1021/acs.jmedchem.5b01482 Enterococcus faecium 1
26588190 10.1021/acs.jmedchem.5b01482 Escherichia coli 1

Data from ChEMBL 36 via Core Engine