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Compound Detail

CHEMBL4067925

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CN(C)CCNCc1ccccc1Sc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067925
Phase Preclinical
Structure Type MOL
InChI Key VLBDUVLSUQLEKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.49
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2S
MW 286.44
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
29019697 10.1021/acs.jmedchem.7b01134 MV4-11 6
29019697 10.1021/acs.jmedchem.7b01134 Protein arginine N-methyltransferase 1 2

Data from ChEMBL 36 via Core Engine