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Compound Detail

CHEMBL4753349

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COc1cc(OC)cc(C(=O)Nc2ccc(Oc3ccc4ccccc4c3Br)c(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753349
Phase Preclinical
Structure Type MOL
InChI Key PKELQZPRQSHNIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.8
MW (Da)
7.32
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19BrClNO4
MW 512.79
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
32738993 10.1016/j.bmcl.2020.127408 STE20/SPS1-related proline-alanine-rich protein kinase 1

Data from ChEMBL 36 via Core Engine