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Compound Detail

CHEMBL4595043

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c1ccc(OCCCCCCCN2CCN(CCCCCCCOc3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595043
Phase Preclinical
Structure Type MOL
InChI Key XFPSFFVSGQXMQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.7
MW (Da)
6.66
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H46N2O2
MW 466.71
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine