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Compound Detail

CHEMBL4301967

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COc1ccc(C2(C)NC(=O)N(CC(O)CN3CCN(c4ccccc4OC)CC3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301967
Phase Preclinical
Structure Type MOL
InChI Key NLDNYOMLDXOIFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
1.65
ALogP
7
HBA
2
HBD
94.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N4O5
MW 468.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine