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Compound Detail

CHEMBL5532081

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CNCCN(C)Cc1c[nH]nc1[C@H]1CC[C@@]2(CC1)CC(C)(C)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5532081
Phase Preclinical
Structure Type MOL
InChI Key YHQXJYOLULPBBH-GLRZTSSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
2.90
ALogP
4
HBA
2
HBD
53.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H34N4O
MW 334.51
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 1
CHEMBL5524
 IC50 8.23 8.23 5.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein arginine N-methyltransferase 1 IC50 = 5.9 nM 8.23 Inhibition of PRMT1 (unknown origin) 38359536

Literature References

PubMed DOI Target Context # Activities
38359536 10.1016/j.ejmech.2024.116212 Protein arginine N-methyltransferase 1 1

Data from ChEMBL 36 via Core Engine