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Compound Detail

CHEMBL4169309

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O=C(CN1CCN(Cc2csc3ccccc23)CC1)NC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169309
Phase Preclinical
Structure Type MOL
InChI Key GHYFPGKDKFWMLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
3.08
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3OS
MW 357.52
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
29886326 10.1016/j.ejmech.2018.05.053 Unchecked 3

Data from ChEMBL 36 via Core Engine