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Compound Detail

CHEMBL2219916

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Cc1c2c(cc[n+]1CCO)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219916
Phase Preclinical
Structure Type MOL
InChI Key ZGDASXFKXLJDMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
5.92
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39N2O2+
MW 435.63
Aromatic Rings 3
Heavy Atoms 32

Data from ChEMBL 36 via Core Engine