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Compound Detail

CHEMBL4061429

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O=C(NCC(=O)N1CCCC1)Nc1cc(Cl)c2cnccc2c1

Basic Information

ChEMBL ID CHEMBL4061429
Phase Preclinical
Structure Type MOL
InChI Key SRTZIVFIGNGSTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
2.63
ALogP
3
HBA
2
HBD
74.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN4O2
MW 332.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 3
CHEMBL5891
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29244490 10.1021/acs.jmedchem.7b01674 Protein arginine N-methyltransferase 3 1

Data from ChEMBL 36 via Core Engine