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Compound Detail

CHEMBL109038

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C/N=C(/S)N1CC(C)N(CC2CC2)Cc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109038
Phase Preclinical
Structure Type MOL
InChI Key FPTFQXPHOINGAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.9
MW (Da)
3.68
ALogP
2
HBA
1
HBD
18.8
PSA (Ų)
0.51
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 C16H22ClN3S
MW 323.89
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine