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Compound Detail

CHEMBL5400537

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C#CCn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400537
Phase Preclinical
Structure Type MOL
InChI Key DVQCGDGTVFJZDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
6.82
ALogP
3
HBA
1
HBD
30.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18Cl2N2O
MW 445.35
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
37591315 10.1016/j.bmcl.2023.129448 Polyunsaturated fatty acid 5-lipoxygenase 2
37591315 10.1016/j.bmcl.2023.129448 Albumin 1
37591315 10.1016/j.bmcl.2023.129448 ADMET 1
37591315 10.1016/j.bmcl.2023.129448 Panel NCI-60 (60 carcinoma cell lines) 1

Data from ChEMBL 36 via Core Engine