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Compound Detail

CHEMBL1922287

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CCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1922287
Phase Preclinical
Structure Type MOL
InChI Key BBJKNVBIXYAKII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.2
MW (Da)
4.44
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Cl2N2O3
MW 355.22
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
22023548 10.1021/jm201148s Unchecked 2

Data from ChEMBL 36 via Core Engine