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Compound Detail

CHEMBL555636

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CCCCC1C(=O)NC2=Nc3sc4c(c3CN21)CCCC4.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555636
Phase Preclinical
Structure Type MOL
InChI Key LMGPLWXDFQCTKE-UHFFFAOYSA-N
Parent Compound CHEMBL1195952
Active Moiety CHEMBL1195952
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.12
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22ClN3OS
MW 339.89
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
7265124 10.1021/jm00136a005 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine