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Compound Detail

CHEMBL3623906

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CCCCCCCCCCCCCCCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623906
Phase Preclinical
Structure Type MOL
InChI Key UYHGMEGKSIIOJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

560.8
MW (Da)
9.12
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H50NO4+
MW 560.80
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 0.90

Data from ChEMBL 36 via Core Engine