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Compound Detail

CHEMBL3546667

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CC(=O)Nc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OCC3=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546667
Phase Preclinical
Structure Type MOL
InChI Key FXRMMPUHDORFTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
4.41
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N3O3
MW 483.61
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine