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Compound Detail

CHEMBL3181987

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Brc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3181987
Phase Preclinical
Structure Type MOL
InChI Key DRLMMVPCYXFPEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.1
MW (Da)
3.06
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4BrNS
MW 214.09
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.91

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