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Compound Detail

CHEMBL5267706

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O=C1CN2Cc3c(ccc(Br)c3Cl)N=C2N1

Basic Information

ChEMBL ID CHEMBL5267706
Phase Preclinical
Structure Type MOL
InChI Key WOMVONYQNTYHEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.5
MW (Da)
2.04
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7BrClN3O
MW 300.54
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.72

Activity Summary

EC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HeLa
CHEMBL399
EC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HeLa EC50 = 2.53 nM 8.6 Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... 37077378

Literature References

PubMed DOI Target Context # Activities
37077378 10.1021/acsmedchemlett.3c00092 HeLa 1

Data from ChEMBL 36 via Core Engine