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Compound Detail

CHEMBL419890

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COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCC[N+](C)(C)C)C1c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419890
Phase Preclinical
Structure Type MOL
InChI Key JVWKQXAZLLQLLV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.59
ALogP
7
HBA
1
HBD
107.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40N3O6+
MW 502.63
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine