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Compound Detail

CHEMBL455708

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CC(C)/N=C(/NC(C)C)SCC1=CSC2=NCCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455708
Phase Preclinical
Structure Type MOL
InChI Key ZHKQNUINSKINOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.5
MW (Da)
2.74
ALogP
5
HBA
1
HBD
40.0
PSA (Ų)
0.64
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 C13H22N4S2
MW 298.48
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
19053768 10.1021/jm801065q C-X-C chemokine receptor type 4 2

Data from ChEMBL 36 via Core Engine