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Compound Detail

CHEMBL2221098

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O=C(O)CCC1CNc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221098
Phase Preclinical
Structure Type MOL
InChI Key QNQKOPFJCYVYPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
1.77
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.71
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 C11H13NO3
MW 207.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.01

Data from ChEMBL 36 via Core Engine