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Compound Detail

CHEMBL4861469

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CC1CCCN1CCCNC(=O)c1cnc(-c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861469
Phase Preclinical
Structure Type MOL
InChI Key XPQKWCIEVVUNGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
3.41
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3OS
MW 329.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
33766764 10.1016/j.bmcl.2021.127978 Unchecked 1
33766764 10.1016/j.bmcl.2021.127978 Geranylgeranyl pyrophosphate synthase 1
33766764 10.1016/j.bmcl.2021.127978 Farnesyl pyrophosphate synthase 1

Data from ChEMBL 36 via Core Engine