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Compound Detail

CHEMBL3765873

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COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765873
Phase Preclinical
Structure Type MOL
InChI Key CKSKIWUQLNHIJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
5.44
ALogP
5
HBA
0
HBD
37.7
PSA (Ų)
0.36
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 C28H31N3O2
MW 441.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine