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Compound Detail

CHEMBL3746047

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COc1cccc(Cn2cc(CCNC(=N)N)c3ccccc32)c1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746047
Phase Preclinical
Structure Type MOL
InChI Key SATKQYMKIVBJIE-UHFFFAOYSA-N
Parent Compound CHEMBL3747966
Active Moiety CHEMBL3747966
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.72
ALogP
3
HBA
3
HBD
76.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3N4O3
MW 436.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.96

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