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Compound Detail

CHEMBL5415657

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c1ccc2c(c1)N=C(NCCN1CCNCC1)c1ccccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5415657
Phase Preclinical
Structure Type MOL
InChI Key ICKAUSRFSIDAIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.32
ALogP
5
HBA
3
HBD
51.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5
MW 321.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
38283231 10.1039/d3md00418j Salmonella typhimurium 1
38283231 10.1039/d3md00418j RAW264.7 1

Data from ChEMBL 36 via Core Engine