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Compound Detail

CHEMBL1180472

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CCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180472
Phase Preclinical
Structure Type MOL
InChI Key BXILGNWOCKHQPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.8
MW (Da)
6.98
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H51N2O4+
MW 503.75
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine