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Compound Detail

CHEMBL5268144

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

Basic Information

ChEMBL ID CHEMBL5268144
Phase Preclinical
Structure Type MOL
InChI Key CARNAIQCQPSXFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.7
MW (Da)
2.20
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11ClN2O
MW 222.68
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.33

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