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Compound Detail

CHEMBL4249337

ONAMETOSTAT
Phase I
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Phase I
Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4249337
Name ONAMETOSTAT
Phase Phase I
Structure Type MOL
InChI Key DBSMLQTUDJVICQ-CJODITQLSA-N

Known Names

Jnj-64619178 JNJ64619178 Onametostat
2
Targets
7
Activities
1
Assay Types
3
PK Parameters
20
Publications
3
Known Names
2
Indications

Molecular Properties

483.4
MW (Da)
2.82
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C22H23BrN6O2
MW 483.37
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.28

Indications

Lymphoma, Non-Hodgkin Myelodysplastic Syndromes

Activity Summary

IC50 7 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PRMT5/MEP50 complex
CHEMBL3137261
 IC50 9.89 9.89 0.1 1
Protein arginine N-methyltransferase 5
CHEMBL1795116
 IC50 9.85 9.11 0.1 6

Pharmacokinetic Data

Parameter Value Units Species
CL 6.6 mL.min-1.kg-1 Mus musculus
F 36.0 % Mus musculus
Ka 6.3 10^5/M/s Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PRMT5/MEP50 complex IC50 = 0.13 nM 9.89 Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-termi... 30956011
Protein arginine N-methyltransferase 5 IC50 = 0.14 nM 9.85 Inhibition of full-length human N-terminal FLAG-tagged PRMT5 expressed in Sf9 in... 30366617
Protein arginine N-methyltransferase 5 IC50 = 0.14 nM 9.85 Inhibition of PRMT5 (unknown origin) 39361813
Protein arginine N-methyltransferase 5 IC50 = 0.25 nM 9.6 Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production... 30956011
Protein arginine N-methyltransferase 5 IC50 = 0.772 nM 9.11 Inhibition of PRMT5 (unknown origin) 36274274
Protein arginine N-methyltransferase 5 IC50 = 6.3 nM 8.2 Inhibition of human N-terminal FLAG-tagged PRMT5 (2 to end) expressed in HEK293 ... 29870258
Protein arginine N-methyltransferase 5 IC50 = 9.0 nM 8.05 Inhibition of PRMT5 methyltransferase activity (unknown origin) using histone H4... 38301329

Literature References

PubMed DOI Target Context # Activities
37366223 10.1021/acs.jmedchem.3c00250 PRMT5/MEP50 complex 3
37366223 10.1021/acs.jmedchem.3c00250 NCI-H1048 3
- 10.6019/CHEMBL5724709 HEK-293T 2
- 10.6019/CHEMBL5724709 U2OS 2
- 10.6019/CHEMBL5724709 Fibroblast 2
37366223 10.1021/acs.jmedchem.3c00250 Protein arginine N-methyltransferase 5 2
37366223 10.1021/acs.jmedchem.3c00250 ADMET 2
34342224 10.1021/acs.jmedchem.1c00507 ADMET 2
36274274 10.1016/j.ejmech.2022.114842 Protein arginine N-methyltransferase 5 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
34342224 10.1021/acs.jmedchem.1c00507 PRMT5/MEP50 complex 1
30956011 10.1016/j.bmcl.2019.03.042 Protein arginine N-methyltransferase 5 1
38301329 10.1016/j.ejmech.2024.116171 Protein arginine N-methyltransferase 5 1
38301329 10.1016/j.ejmech.2024.116171 MOLM-13 1
38301329 10.1016/j.ejmech.2024.116171 Z-138 1
39361813 10.1021/acs.jmedchem.4c01041 Protein arginine N-methyltransferase 6 1
30956011 10.1016/j.bmcl.2019.03.042 PRMT5/MEP50 complex 1
39361813 10.1021/acs.jmedchem.4c01041 Protein arginine N-methyltransferase 3 1
39361813 10.1021/acs.jmedchem.4c01041 Histone-arginine methyltransferase CARM1 1
30366617 10.1016/j.bmcl.2018.10.026 Protein arginine N-methyltransferase 5 1

Data from ChEMBL 36 via Core Engine