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Compound Detail

CHEMBL344648

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C[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344648
Phase Preclinical
Structure Type MOL
InChI Key MRYUEHRAIMRPNB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.65
ALogP
2
HBA
2
HBD
55.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N3+
MW 300.38
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
6708048 10.1021/jm00370a007 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine