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Compound Detail

CHEMBL3040284

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COc1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc(OC)ccc32)NCCCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040284
Phase Preclinical
Structure Type MOL
InChI Key YTBSNQWJQCJOGM-WWQQVGJXSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
5.46
ALogP
4
HBA
2
HBD
50.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N4O2+2
MW 486.66
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine