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Compound Detail

CHEMBL4749571

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O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cccnc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749571
Phase Preclinical
Structure Type MOL
InChI Key IELJLSQGUPOLEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.7
MW (Da)
6.40
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14BrClN2O3
MW 469.72
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.23

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