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Compound Detail

CHEMBL4444596

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CN(CC(=O)N1CCN(c2cccc3ccccc23)CC1)C(=O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444596
Phase Preclinical
Structure Type MOL
InChI Key WVFBQOJDSRKGCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
3.32
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O2S
MW 393.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 ADMET 4
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1

Data from ChEMBL 36 via Core Engine