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Compound Detail

CHEMBL91201

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C/N=C(\S)N1CCC(c2cccc(Br)c2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91201
Phase Preclinical
Structure Type MOL
InChI Key HQRQQERISJSPMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
2.77
ALogP
2
HBA
1
HBD
28.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12BrN3S
MW 298.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
12061873 10.1021/jm010459j Cruzipain 1

Data from ChEMBL 36 via Core Engine