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Compound Detail

CHEMBL4103085

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CN(C)CCNC(=O)c1ccccc1Sc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103085
Phase Preclinical
Structure Type MOL
InChI Key UGLDEUVKNFUMGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
4.28
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2OS
MW 350.49
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Literature References

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

Data from ChEMBL 36 via Core Engine