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Compound Detail

CHEMBL108314

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CC1CN2c3c(cc(Cl)cc3NS2(=O)=O)CN1CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108314
Phase Preclinical
Structure Type MOL
InChI Key LUMJACVICIMYFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
2.43
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.91
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 C14H18ClN3O2S
MW 327.84
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.88

Literature References

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

Data from ChEMBL 36 via Core Engine