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Compound Detail

CHEMBL1180630

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Oc1ccc2c(c1)OC(CNCCCc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180630
Phase Preclinical
Structure Type MOL
InChI Key UFPFTPPWVXLEQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.31
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO2
MW 297.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.47

Data from ChEMBL 36 via Core Engine