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Compound Detail

CHEMBL1179987

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C[N+]1(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)C[N+]4(C)CCOCC4)cc2C3=O)CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179987
Phase Preclinical
Structure Type MOL
InChI Key PSBZHEUJWUYEEE-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
1.29
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N4O6+2
MW 522.60
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine