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Compound Detail

CHEMBL46488

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CCCS/C(=N/C)NCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46488
Phase Preclinical
Structure Type MOL
InChI Key AFRDHPNZKPZSOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.8
MW (Da)
3.56
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17ClN2S
MW 256.80
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
11356102 10.1021/jm001109k Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine