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Compound Detail

CHEMBL2365858

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COC1=C(OC)C(=O)C(CCCCCCCCCCn2cc[n+](C)c2)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365858
Phase Preclinical
Structure Type MOL
InChI Key QVJKWGFHHMWFMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.80
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N2O4+
MW 403.54
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine