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Compound Detail

CHEMBL4247895

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COc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4247895
Phase Preclinical
Structure Type MOL
InChI Key WQUMNGATZIEFHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.59
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O2
MW 346.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
30258545 10.1021/acsmedchemlett.8b00296 Son of sevenless homolog 1 2

Data from ChEMBL 36 via Core Engine