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Compound Detail

CHEMBL391579

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CC(C)Oc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(O)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391579
Phase Preclinical
Structure Type MOL
InChI Key YBWITCNOQPUGCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
1.78
ALogP
7
HBA
2
HBD
129.4
PSA (Ų)
0.77
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 C18H19N3O5S
MW 389.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
17055723 10.1016/j.bmcl.2006.10.013 Rattus norvegicus 5
17055723 10.1016/j.bmcl.2006.10.013 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine