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Compound Detail

CHEMBL3747212

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N=C(N)NCCc1cn(Cc2cccc(Cl)c2)c2ccccc12.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747212
Phase Preclinical
Structure Type MOL
InChI Key HXFBMOHHWGBVQL-UHFFFAOYSA-N
Parent Compound CHEMBL3747970
Active Moiety CHEMBL3747970
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
3.37
ALogP
2
HBA
3
HBD
66.8
PSA (Ų)
0.50
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 C20H20ClF3N4O2
MW 440.85
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.30

Activity Summary

IC50 1 meas.

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