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Compound Detail

CHEMBL1414746

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COc1ccc2[nH]c3c(c2c1)CCNC3c1ccc([N+](=O)[O-])o1.Cl

Basic Information

ChEMBL ID CHEMBL1414746
Phase Preclinical
Structure Type MOL
InChI Key FCZJCOKJUMNOES-UHFFFAOYSA-N
Parent Compound CHEMBL1620214
Active Moiety CHEMBL1620214
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClN3O4
MW 349.77
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.38

Activity Summary

EC50 3 meas. best 5.36
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.36 5.36 4343.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.24 5.24 5817.0 1
Unchecked
CHEMBL612545
EC50 4.47 4.47 34123.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine