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Compound Detail

CHEMBL1549677

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CC1CN(C2=Nc3cccc4cccc2c34)CC(C)O1

Basic Information

ChEMBL ID CHEMBL1549677
Phase Preclinical
Structure Type MOL
InChI Key MPJGCTCFSMTLIU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.34
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.73
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 C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.39

Activity Summary

IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.03 5.03 9396.0 1
Protein Rev
CHEMBL1293282
IC50 4.74 4.74 18230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine