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Compound Detail

CHEMBL4459115

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N[C@H](CSCc1ccccc1)[C@H]1CC(Br)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459115
Phase Preclinical
Structure Type MOL
InChI Key MYEPJNRAEPHUGB-GHMZBOCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.2
MW (Da)
2.74
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15BrN2OS
MW 315.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
30996801 10.1021/acsmedchemlett.8b00592 Unchecked 5
30996801 10.1021/acsmedchemlett.8b00592 Plasmodium falciparum 2
30996801 10.1021/acsmedchemlett.8b00592 HMEC-1 1

Data from ChEMBL 36 via Core Engine