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Compound Detail

CHEMBL3774731

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CCO[N+]1=C(Nc2ccc(CCc3ccc(NC4=[N+](OCC)CCN4)cc3)cc2)NCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774731
Phase Preclinical
Structure Type MOL
InChI Key GWFAWWOHIDPJQL-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.14
ALogP
6
HBA
4
HBD
72.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N6O2+2
MW 438.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00292C Unchecked 6

Data from ChEMBL 36 via Core Engine