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Compound Detail

CHEMBL143835

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COc1ccc2c(c1)CC(NC(=O)CN1CCN(c3ccccc3OC)CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143835
Phase Preclinical
Structure Type MOL
InChI Key MSAXPMJMQDTEHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
2.50
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.79
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 C24H31N3O3
MW 409.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine