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Compound Detail

CHEMBL1397154

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CC(OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NCc1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1397154
Phase Preclinical
Structure Type MOL
InChI Key GYFDMPUSXUGRGN-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.50
ALogP
6
HBA
1
HBD
95.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O4
MW 367.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
 IC50 5.18 5.18 6631.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Female germline-specific tumor suppressor gld-1 IC50 = 6631.0 nM 5.18 PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... -

Data from ChEMBL 36 via Core Engine