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Compound Detail

CHEMBL108092

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CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108092
Phase Preclinical
Structure Type MOL
InChI Key ZBJVYFQKNIPWPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
5.36
ALogP
4
HBA
0
HBD
21.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3S
MW 363.53
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine