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Compound Detail

CHEMBL1189095

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O=C(O)C1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189095
Phase Preclinical
Structure Type MOL
InChI Key IECCVNACZVCBPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.3
MW (Da)
5.91
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22Cl2F3NO3
MW 476.32
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine