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Compound Detail

CHEMBL5269934

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Cc1nc2cc(C3=NNC(=O)C[C@H]3C)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL5269934
Phase Preclinical
Structure Type MOL
InChI Key GRYKHPNOCAXLKF-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
1.73
ALogP
3
HBA
2
HBD
70.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O
MW 242.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
31749907 10.1021/acsmedchemlett.9b00360 A498 1
31749907 10.1021/acsmedchemlett.9b00360 HeLa 1

Data from ChEMBL 36 via Core Engine