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Compound Detail

CHEMBL1922291

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COc1cc(Cl)c(C(=O)Nc2c(Cl)cncc2Cl)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1922291
Phase Preclinical
Structure Type MOL
InChI Key XGZQDFXJAKUENK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.6
MW (Da)
4.31
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11Cl3N2O3
MW 361.61
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.20

Literature References

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

Data from ChEMBL 36 via Core Engine