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Compound Detail

CHEMBL5284388

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CCN(CC)c1ccc(C2=NNC(=O)C2(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284388
Phase Preclinical
Structure Type MOL
InChI Key KRVCZWIRYGTWFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
2.39
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O
MW 259.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.60

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