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Compound Detail

CHEMBL294790

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COc1ccccc1CNCCCCCCNCCCCCNCCCCCCN(N)Cc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294790
Phase Preclinical
Structure Type MOL
InChI Key GRHQYMDSSBRZTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.9
MW (Da)
5.64
ALogP
7
HBA
4
HBD
83.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H57N5O2
MW 555.85
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine