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Compound Detail

CHEMBL1328512

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COCCNC(=O)C(c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1328512
Phase Preclinical
Structure Type MOL
InChI Key QVSWSKZTQQLAIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
2.37
ALogP
8
HBA
1
HBD
111.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O4
MW 474.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 4.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
14-3-3 protein gamma
CHEMBL1293296
 IC50 4.61 4.61 24609.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
14-3-3 protein gamma IC50 = 24609.0 nM 4.61 PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... -

Data from ChEMBL 36 via Core Engine