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Compound Detail

CHEMBL1192021

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O=C(O)[C@H]1CN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192021
Phase Preclinical
Structure Type MOL
InChI Key AYQVPJIMSWHWEE-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
3.87
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23Cl2NO4
MW 424.32
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine