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Compound Detail

CHEMBL1190443

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OCCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190443
Phase Preclinical
Structure Type MOL
InChI Key HJRPNGSEOMMOOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
2.44
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.64
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 C18H20ClNO4
MW 349.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.42

Data from ChEMBL 36 via Core Engine