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Compound Detail

CHEMBL4527907

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CCCCCCCC(=O)N1CCN(Cn2nc(-c3ccc(OC)cc3)oc2=S)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527907
Phase Preclinical
Structure Type MOL
InChI Key OIVJUXIQXQEGAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.34
ALogP
7
HBA
0
HBD
63.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N4O3S
MW 432.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
30654237 10.1016/j.ejmech.2019.01.001 4T1 1
30654237 10.1016/j.ejmech.2019.01.001 CT26.WT 1
30654237 10.1016/j.ejmech.2019.01.001 BHK-21 1

Data from ChEMBL 36 via Core Engine