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Compound Detail

CHEMBL5273764

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C[C@@H]1CC(=O)NN=C1c1ccc(-n2cnnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273764
Phase Preclinical
Structure Type MOL
InChI Key GPJHVOAIMGZTOV-SECBINFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.13
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O
MW 255.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.16

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