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Compound Detail

CHEMBL3314491

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COCCCOc1cccc([C@@H]2NC(=S)Nc3c2oc2ncccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314491
Phase Preclinical
Structure Type MOL
InChI Key HVBOOIDXACFGEI-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.63
ALogP
5
HBA
2
HBD
68.5
PSA (Ų)
0.51
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 C19H19N3O3S
MW 369.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
24953819 10.1016/j.bmcl.2014.05.069 Transient receptor potential cation channel subfamily A member 1 2
24953819 10.1016/j.bmcl.2014.05.069 Plasma 1
24953819 10.1016/j.bmcl.2014.05.069 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine