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Compound Detail

CHEMBL4802985

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CC1(C)C(Cc2ccc(Cl)cc2)C(=[N+]2CCCCC2)C=CN1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802985
Phase Preclinical
Structure Type MOL
InChI Key SHAQKBOIAGGPCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
6.60
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31Cl2N2+
MW 442.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine