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Compound Detail

CHEMBL1618574

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COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618574
Phase Preclinical
Structure Type MOL
InChI Key YETWFEXQBMYMRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.71
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23Cl2NO3
MW 408.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine