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Compound Detail

CHEMBL3210843

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CC[N+](C)(CC)CCC/C(=N/O)C(O)(c1ccccc1)c1ccccc1.[I-]

Basic Information

ChEMBL ID CHEMBL3210843
Phase Preclinical
Structure Type MOL
InChI Key UWEOQGBQZLXXFI-VZXGSGAOSA-N
Parent Compound CHEMBL3305876
Active Moiety CHEMBL3305876
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.02
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31IN2O2
MW 482.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.25 5.25 5575.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 5575.0 nM 5.25 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine