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Compound Detail

CHEMBL3747363

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COc1ccc2c(c1)c(CCNC(=N)N)cn2Cc1ccc(F)c(F)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747363
Phase Preclinical
Structure Type MOL
InChI Key FHIGYRDLVFUXNW-UHFFFAOYSA-N
Parent Compound CHEMBL3747813
Active Moiety CHEMBL3747813
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.00
ALogP
3
HBA
3
HBD
76.1
PSA (Ų)
0.47
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 C19H21ClF2N4O
MW 394.85
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.39

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