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Compound Detail

CHEMBL1178371

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CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2cc3ccccc3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178371
Phase Preclinical
Structure Type MOL
InChI Key JPZCKKITRYQVME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
6.45
ALogP
2
HBA
0
HBD
12.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N3+
MW 422.60
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine