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Compound Detail

CHEMBL243862

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Nc1nc2nc(SCc3cccc(F)c3F)nc(N3CCCC3CO)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243862
Phase Preclinical
Structure Type MOL
InChI Key MCLIYLANXPCEGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
3.20
ALogP
8
HBA
2
HBD
88.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F2N5OS2
MW 409.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
17382543 10.1016/j.bmcl.2007.02.080 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine