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Compound Detail

CHEMBL4555595

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CCCCCCCC(=O)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555595
Phase Preclinical
Structure Type MOL
InChI Key DPWFXACTHIDQOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
4.33
ALogP
6
HBA
0
HBD
54.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N4O2S
MW 402.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.55

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