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Compound Detail

CHEMBL4091931

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CN(C)CCNC(=O)c1ccccc1Sc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091931
Phase Preclinical
Structure Type MOL
InChI Key RDNAUIITVQMEJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.9
MW (Da)
3.78
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.87
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 C17H19ClN2OS
MW 334.87
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.67

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