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Compound Detail

CHEMBL1188901

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Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188901
Phase Preclinical
Structure Type MOL
InChI Key GVEDWYJBOAYFLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.23
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N3
MW 339.53
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine