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Compound Detail

CHEMBL1553837

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O=C1c2ccccc2C(=O)c2c1cccc2N(CCO)CCO

Basic Information

ChEMBL ID CHEMBL1553837
Phase Preclinical
Structure Type MOL
InChI Key JEWJHTTZILLULZ-UHFFFAOYSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.25
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
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 2
Heavy Atoms 23
NP-Likeness -0.10

Activity Summary

IC50 3 meas. best 5.26
EC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.26 5.26 5514.0 1
Protein Rev
CHEMBL1293282
IC50 5.07 5.07 8440.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.77 4.77 17027.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.71 4.71 19645.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.32 4.32 47700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine