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Compound Detail

CHEMBL3040286

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COc1ccc2c3cc[n+](c2c1)Cc1cccc(c1)C[n+]1ccc(c2ccc(OC)cc21)NCc1ccc(cc1)CN3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040286
Phase Preclinical
Structure Type MOL
InChI Key RQLUVVFSUBJAJR-YEQLPCBTSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
6.22
ALogP
4
HBA
2
HBD
50.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H34N4O2+2
MW 554.69
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine