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Compound Detail

CHEMBL2219935

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Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCc3ccccc3)cc1n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219935
Phase Preclinical
Structure Type MOL
InChI Key GFVXHJQNLOSSKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
7.06
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33N2O+
MW 449.62
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine