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Compound Detail

CHEMBL1520090

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CCCCc1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1.Cl

Basic Information

ChEMBL ID CHEMBL1520090
Phase Preclinical
Structure Type MOL
InChI Key AIJDOUMFCZTCAH-RSAXXLAASA-N
Parent Compound CHEMBL1623146
Active Moiety CHEMBL1623146
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
0.72
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.65
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 C16H31ClN6O
MW 358.92
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.80

Activity Summary

EC50 2 meas. best 4.58
IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.68 4.68 21000.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.58 4.58 26129.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.5 4.5 31850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine