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Compound Detail

CHEMBL4788477

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O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788477
Phase Preclinical
Structure Type MOL
InChI Key YYBZTIDTNGWROJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
4.82
ALogP
6
HBA
4
HBD
100.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N6O2
MW 412.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
29133048 10.1016/j.ejmech.2017.09.018 BaF3 5
29133048 10.1016/j.ejmech.2017.09.018 Unchecked 3
29133048 10.1016/j.ejmech.2017.09.018 Proto-oncogene tyrosine-protein kinase receptor Ret 3

Data from ChEMBL 36 via Core Engine