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Compound Detail

CHEMBL1929288

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CC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929288
Phase Preclinical
Structure Type MOL
InChI Key CXLKBYVXESTINI-UHFFFAOYSA-N
Parent Compound CHEMBL1962692
Active Moiety CHEMBL1962692
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.72
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24ClN3O2S
MW 357.91
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
22075234 10.1016/j.bmc.2011.10.023 Sigma non-opioid intracellular receptor 1 1
22075234 10.1016/j.bmc.2011.10.023 Unchecked 1
22075234 10.1016/j.bmc.2011.10.023 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase 1

Data from ChEMBL 36 via Core Engine