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Compound Detail

CHEMBL2219936

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Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCCC(C)C)cc1n2CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219936
Phase Preclinical
Structure Type MOL
InChI Key WWKURMUWXIILLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.6
MW (Da)
6.91
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H41N2O+
MW 409.64
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine