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Compound Detail

CHEMBL5268188

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CC1(C)C(=O)NN=C1c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5268188
Phase Preclinical
Structure Type MOL
InChI Key KKHZWVPJJASRKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
1.13
ALogP
3
HBA
2
HBD
67.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O
MW 203.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.10

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