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Compound Detail

CHEMBL1922288

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COc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1922288
Phase Preclinical
Structure Type MOL
InChI Key NNUJDOLMAFGMSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.2
MW (Da)
3.57
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.67
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 C15H12Cl2N2O4
MW 355.18
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.78

Literature References

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

Data from ChEMBL 36 via Core Engine