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Compound Detail

CHEMBL2027910

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COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(-c2cc4ccccc4[nH]2)cc1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2027910
Phase Preclinical
Structure Type MOL
InChI Key PEVGGKJDMNPGDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

571.6
MW (Da)
7.08
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.16
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 C36H31N2O5+
MW 571.65
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness 0.40

Data from ChEMBL 36 via Core Engine