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Compound Detail

CHEMBL5175343

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O=C1Oc2c(ccc3cccnc23)C(c2ccc(Cl)cc2Cl)N1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175343
Phase Preclinical
Structure Type MOL
InChI Key XWFLEHWQJXBNLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

449.3
MW (Da)
6.69
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18Cl2N2O2
MW 449.34
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
35978701 10.1021/acsmedchemlett.2c00249 Daoy 1
35978701 10.1021/acsmedchemlett.2c00249 A-375 1
35978701 10.1021/acsmedchemlett.2c00249 Unchecked 1

Data from ChEMBL 36 via Core Engine