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Compound Detail

CHEMBL1366915

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NC(=O)c1cc(N)ccc1N1CCCC1

Basic Information

ChEMBL ID CHEMBL1366915
Phase Preclinical
Structure Type MOL
InChI Key ZGAKJYKEQQWIJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
0.97
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3O
MW 205.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
14-3-3 protein gamma
CHEMBL1293296
IC50 4.74 4.74 18093.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
14-3-3 protein gamma IC50 = 18093.5 nM 4.74 PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... -

Data from ChEMBL 36 via Core Engine