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Compound Detail

CHEMBL1184570

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COc1cccc2c3c(c(C)[n+](C)c12)CCN3c1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184570
Phase Preclinical
Structure Type MOL
InChI Key HTBBLSIOSXFCGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.98
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N2O+
MW 319.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine