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Compound Detail

CHEMBL4802597

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CC1(C)C(Cc2ccccc2)C(=[N+]2CCCC2)C=CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802597
Phase Preclinical
Structure Type MOL
InChI Key DUBGBBYFMQPQDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.90
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N2+
MW 359.54
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine