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Compound Detail

CHEMBL1619961

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CCn1c2ccccc2c2cc(CNCCCN3CCOCC3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619961
Phase Preclinical
Structure Type MOL
InChI Key GJXFDRBSVMOVST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
3.63
ALogP
4
HBA
1
HBD
29.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O
MW 351.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine