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Compound Detail

CHEMBL1621585

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COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621585
Phase Preclinical
Structure Type MOL
InChI Key LLCHPKABGFRGHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.9
MW (Da)
5.18
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClN2O+
MW 387.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine