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Compound Detail

CHEMBL2221097

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CN1CC(CCC(=O)O)c2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221097
Phase Preclinical
Structure Type MOL
InChI Key KXICSAMRNYMCST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.79
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO3
MW 221.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.57

Data from ChEMBL 36 via Core Engine