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Compound Detail

CHEMBL269410

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Nc1cccc2c1C(=O)N(c1ccccc1)C2=O

Basic Information

ChEMBL ID CHEMBL269410
Phase Preclinical
Structure Type MOL
InChI Key IYNXMRJUAJBGGM-UHFFFAOYSA-N
6
Targets
7
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.07
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O2
MW 238.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.97

Activity Summary

IC50 5 meas. best 5.54
EC50 2 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.54 5.54 2903.0 1
Protein Rev
CHEMBL1293282
IC50 5.1 5.1 7863.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.98 4.98 10509.0 1
Heat shock 70 kDa protein 1A
CHEMBL5460
IC50 4.91 4.91 12400.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.77 4.77 17023.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.62 4.62 24000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Ka - - -

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10843222 10.1016/s0960-894x(00)00161-x Unchecked 2
10843222 10.1016/s0960-894x(00)00161-x Lysosomal acid glucosylceramidase 1

Data from ChEMBL 36 via Core Engine