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Compound Detail

CHEMBL1381318

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Nc1c(O)ccc2c1C(=O)c1ccccc1C2=O

Basic Information

ChEMBL ID CHEMBL1381318
Phase Preclinical
Structure Type MOL
InChI Key PZHGBWKPRMYCEF-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
1.75
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9NO3
MW 239.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.64

Activity Summary

IC50 2 meas. best 5.44
EC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.44 5.44 3660.7 1
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.38 5.38 4149.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.99 4.99 10361.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine