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Compound Detail

CHEMBL1192697

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Cn1cc(CCC2CCNCC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192697
Phase Preclinical
Structure Type MOL
InChI Key SPDNEIRGFSAONU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.4
MW (Da)
3.11
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2
MW 242.37
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine