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Compound Detail

CHEMBL1243303

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CNCC(CSc1ccc(C(F)(F)F)cc1)c1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243303
Phase Preclinical
Structure Type MOL
InChI Key MJFULYPEKJAFJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16F3N3S
MW 315.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
20690643 10.1021/jm100643t Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine