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Compound Detail

CHEMBL1604260

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CNCc1ccccc1OCc1ccccc1F.Cl

Basic Information

ChEMBL ID CHEMBL1604260
Phase Preclinical
Structure Type MOL
InChI Key MBBMAKWZUDINJQ-UHFFFAOYSA-N
Parent Compound CHEMBL1625492
Active Moiety CHEMBL1625492
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
3.12
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.87
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 C15H17ClFNO
MW 281.76
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 6.25 6.25 556.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine