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Compound Detail

CHEMBL3747912

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CC[N+]1(CC)CCN(c2ccc(C#N)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747912
Phase Preclinical
Structure Type MOL
InChI Key PVPVDVOXUIQZNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

244.4
MW (Da)
2.23
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.76
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 C15H22N3+
MW 244.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine