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Compound Detail

CHEMBL1620477

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CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(C(C)(C)CC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1620477
Phase Preclinical
Structure Type MOL
InChI Key HPGKJCFDLAZRAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.6
MW (Da)
6.21
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38NO+
MW 368.59
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine