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Compound Detail

CHEMBL390831

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CC(C)(C)c1ccc(-c2cc(Sc3ccc4c(c3)OCCO4)ncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390831
Phase Preclinical
Structure Type MOL
InChI Key FUTSXZNRPJHBQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.36
ALogP
5
HBA
0
HBD
44.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O2S
MW 378.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
17585749 10.1021/jm070189q Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine