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Compound Detail

CHEMBL1584969

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COc1cccc2c(O)c3cccc(N)c3nc12

Basic Information

ChEMBL ID CHEMBL1584969
Phase Preclinical
Structure Type MOL
InChI Key BCNHTZRTLWNPMJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.68
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.51
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 C14H12N2O2
MW 240.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.2 5.2 6376.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine