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Compound Detail

CHEMBL4595649

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Cc1cccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595649
Phase Preclinical
Structure Type MOL
InChI Key GIXUITONJFXENE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.02
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36NO3+
MW 470.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine