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Compound Detail

CHEMBL5194406

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Cn1c(Br)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194406
Phase Preclinical
Structure Type MOL
InChI Key PROLKELCEPYEQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

211.1
MW (Da)
2.34
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7BrN2
MW 211.06
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
35984756 10.1021/acs.jmedchem.2c00909 HCT-116 1
35984756 10.1021/acs.jmedchem.2c00909 NCI-H522 1

Data from ChEMBL 36 via Core Engine