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Compound Detail

CHEMBL1196535

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COc1ccc2cc(CNCCCCNCCCCN)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196535
Phase Preclinical
Structure Type MOL
InChI Key HWOWRVMBXRVTMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
3.05
ALogP
4
HBA
3
HBD
59.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N3O
MW 329.49
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine