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Compound Detail

CHEMBL460483

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c1ccc(CS/C(=N\C2CCCCC2)NC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460483
Phase Preclinical
Structure Type MOL
InChI Key AKWYUXGJLWSOTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
5.53
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2S
MW 330.54
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.59

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