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Compound Detail

CHEMBL1184480

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CCCCCCCCCCCCCCOc1ccc(COC(=O)NCc2cccc[n+]2CC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184480
Phase Preclinical
Structure Type MOL
InChI Key KEVIPOJEAJZHBM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.7
MW (Da)
7.50
ALogP
3
HBA
1
HBD
51.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47N2O3+
MW 483.72
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine