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Compound Detail

CHEMBL5279566

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C#Cc1cc(C2=NNC(=O)C[C@H]2C)ccc1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279566
Phase Preclinical
Structure Type MOL
InChI Key SAJAHSIZNGUZQN-SECBINFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.49
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O2
MW 269.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
 EC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa EC50 = 65.0 nM 7.19 Cytotoxicity against human HeLa cells assessed as cell growth inhibition measure... 31749907

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