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Compound Detail

CHEMBL1962700

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COc1ccc2cc3[n+](cc2c1OCCC(=O)NCCc1c[nH]c2ccc(C)cc12)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962700
Phase Preclinical
Structure Type MOL
InChI Key FJQPRBQVOYIPIJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
5.01
ALogP
5
HBA
2
HBD
85.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32N3O5+
MW 550.64
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine