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Compound Detail

CHEMBL1181104

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CCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181104
Phase Preclinical
Structure Type MOL
InChI Key IWOIVDFPKTWPGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
6.40
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H45N2O4+
MW 497.70
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine