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Compound Detail

CHEMBL1187598

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CCCN1/C(=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187598
Phase Preclinical
Structure Type MOL
InChI Key FYFRDVQMVBTFEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
7.12
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N2+
MW 413.63
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine