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Compound Detail

CHEMBL4466233

PEMRAMETOSTAT
🧪 Phase II
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🧪 Phase II
CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466233
Name PEMRAMETOSTAT
Phase Phase II
Structure Type MOL
InChI Key JLCCNYVTIWRPIZ-NRFANRHFSA-N

Known Names

EPZ-015938 EPZ015938 Gsk 3326595 Gsk-3326595 GSK-3326595A Gsk3326595 Pemrametostat
3
Targets
38
Activities
3
Assay Types
1
PK Parameters
20
Publications
7
Known Names
2
Indications
1
Mechanisms

Molecular Properties

452.6
MW (Da)
1.05
ALogP
7
HBA
3
HBD
110.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C24H32N6O3
MW 452.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.32

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Protein arginine N-methyltransferase 5 inhibitor INHIBITOR Protein arginine N-methyltransferase 5 ✓ ✓

Indications

Breast Neoplasms Neoplasms

Activity Summary

EC50 17 meas. best 8.7
IC50 13 meas. best 8.23
Ki 8 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 5
CHEMBL1795116
 EC50 8.7 7.8694 2.0 17
PRMT5/MEP50 complex
CHEMBL3137261
 Ki 8.52 8.1288 3.0 8
PRMT5/MEP50 complex
CHEMBL3137261
 IC50 8.23 7.9913 5.9 8
Protein arginine N-methyltransferase 5
CHEMBL1795116
 IC50 8.21 8.03 6.2 3
HCT-116
CHEMBL394
 IC50 6.72 6.67 189.0 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.8 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human MCF7 cells assessed as decrease in SDMA level incub... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human MAVER-1 cells assessed as decrease in SDMA level in... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human MINO cells assessed as decrease in SDMA level incub... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human BJAB cells assessed as decrease in SDMA level incub... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human REC1 cells assessed as decrease in SDMA level incub... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human U-2940 cells assessed as decrease in SDMA level inc... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human ZR-75-1 cells assessed as decrease in SDMA level in... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.0 nM 8.7 Inhibition of PRMT5 in human MDA-MB-468 cells assessed as decrease in SDMA level... 29946150
Protein arginine N-methyltransferase 5 EC50 = 2.5 nM 8.6 Inhibition of PRMT5 in human Z138 cells assessed as effect on SDMA level incubat... 29946150
PRMT5/MEP50 complex Ki = 3.0 nM 8.52 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex Ki = 3.0 nM 8.52 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex Ki = 3.1 nM 8.51 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex Ki = 3.1 nM 8.51 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex IC50 = 5.9 nM 8.23 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex IC50 = 6.0 nM 8.22 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex IC50 = 6.2 nM 8.21 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
PRMT5/MEP50 complex IC50 = 6.2 nM 8.21 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150
Protein arginine N-methyltransferase 5 IC50 = 6.2 nM 8.21 Inhibition of PRMT5 (unknown origin) 30366617
PRMT5/MEP50 complex IC50 = 6.2 nM 8.21 Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H4 as ... 30366617
PRMT5/MEP50 complex Ki = 9.5 nM 8.02 Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expresse... 29946150

Literature References

PubMed DOI Target Context # Activities
29946150 10.1038/s41598-018-28002-y Protein arginine N-methyltransferase 5 67
29946150 10.1038/s41598-018-28002-y Z-138 27
29946150 10.1038/s41598-018-28002-y Unchecked 15
29946150 10.1038/s41598-018-28002-y PRMT5/MEP50 complex 14
29946150 10.1038/s41598-018-28002-y MDA-MB-468 4
29946150 10.1038/s41598-018-28002-y JVM-2 4
29946150 10.1038/s41598-018-28002-y Maver1 3
29946150 10.1038/s41598-018-28002-y Rec1 3
29946150 10.1038/s41598-018-28002-y MCF7 3
- 10.6019/CHEMBL5724709 HEK-293T 2
29946150 10.1038/s41598-018-28002-y JeKo-1 2
29946150 10.1038/s41598-018-28002-y ADMET 2
- 10.6019/CHEMBL5724709 U2OS 2
- 10.6019/CHEMBL5724709 Fibroblast 2
35041419 10.1021/acs.jmedchem.1c01900 HCT-116 2
35041419 10.1021/acs.jmedchem.1c01900 Protein arginine N-methyltransferase 5 2
29946150 10.1038/s41598-018-28002-y HCC1143 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
29946150 10.1038/s41598-018-28002-y HCC70 1
29946150 10.1038/s41598-018-28002-y HCC1806 1

Data from ChEMBL 36 via Core Engine