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Compound Detail

CHEMBL1478947

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COC(=O)c1cc2c(C)cc3ccc(C)cn3c-2c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1478947
Phase Preclinical
Structure Type MOL
InChI Key MUMHEBGBGAADOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.23
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.68
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 C18H17NO4
MW 311.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Rev
CHEMBL1293282
 IC50 4.91 4.91 12248.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Rev IC50 = 12248.0 nM 4.91 PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... -

Data from ChEMBL 36 via Core Engine