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Compound Detail

CHEMBL1185707

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C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185707
Phase Preclinical
Structure Type MOL
InChI Key MPPKRGDHLBPVNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.82
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2
MW 282.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine