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Compound Detail

CHEMBL1181061

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181061
Phase Preclinical
Structure Type MOL
InChI Key WLYUFJWHMUIUPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

537.8
MW (Da)
8.08
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.15
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 C34H53N2O3+
MW 537.81
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine