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Compound Detail

CHEMBL72622

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OC1=NCCN1CCN1CCN(C2CC(c3ccc(O)cc3)c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72622
Phase Preclinical
Structure Type MOL
InChI Key RFFRELQFYPAOJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.82
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N4O2
MW 406.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine