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Compound Detail

CHEMBL110156

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C=C(C)CN1Cc2cccc3c2C(CC1C)C(S)=N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110156
Phase Preclinical
Structure Type MOL
InChI Key IQVBEPCXPPZDKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.91
ALogP
2
HBA
1
HBD
15.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2S
MW 272.42
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.18

Literature References

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

Data from ChEMBL 36 via Core Engine