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Compound Detail

CHEMBL129124

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CCCCCCCCCCCCCCc1nc(S)nc(O)c1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129124
Phase Preclinical
Structure Type MOL
InChI Key SRDZOEKBBQRQRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.6
MW (Da)
6.28
ALogP
4
HBA
2
HBD
46.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N2OS
MW 352.59
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
11689086 10.1021/jm010947r CCRF-CEM 2

Data from ChEMBL 36 via Core Engine