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Compound Detail

CHEMBL1443008

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CC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL1443008
Phase Preclinical
Structure Type MOL
InChI Key PSNPWEOYFUYIIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.14
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.85
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 C14H18N6O
MW 286.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.51

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 17000.0 nM 4.77 PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... -

Data from ChEMBL 36 via Core Engine