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Compound Detail

CHEMBL1618489

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COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618489
Phase Preclinical
Structure Type MOL
InChI Key DETLYVFHLDMBAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
4.37
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.77
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 C20H21Cl2NO3
MW 394.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine