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Compound Detail

CHEMBL3765877

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O=C(CCCCN1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765877
Phase Preclinical
Structure Type MOL
InChI Key WJYZNXYGEXZFDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
5.42
ALogP
4
HBA
0
HBD
28.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O
MW 425.58
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine