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Compound Detail

CHEMBL1740690

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O=C1C(Cl)=C(N2CCN(CCO)CC2)C(=O)c2c(O)ccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1740690
Phase Preclinical
Structure Type MOL
InChI Key XZBVQZSHJKFRNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
0.54
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.68
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 C16H17ClN2O5
MW 352.77
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine