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Compound Detail

CHEMBL5796835

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CO/N=c1\nc[nH]c2c1ccn2[C@@H]1C[C@H](CCc2ccc3cc(Cl)c(N)nc3c2)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL5796835
Phase Preclinical
Structure Type MOL
InChI Key IFXCLMGNYHEINP-PSAKCFHXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
2.53
ALogP
8
HBA
4
HBD
134.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN6O3
MW 468.95
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PRMT5/MEP50 complex
CHEMBL3137261
IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PRMT5/MEP50 complex IC50 = 0.2 nM 9.7 Biochemical Assay: Compounds were solubilized, and 3-fold diluted in 100% DMSO. ... -

Data from ChEMBL 36 via Core Engine