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Compound Detail

CHEMBL1585268

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CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1

Basic Information

ChEMBL ID CHEMBL1585268
Phase Preclinical
Structure Type MOL
InChI Key OIPWYTXPDHHORU-UHFFFAOYSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
2.40
ALogP
3
HBA
0
HBD
35.9
PSA (Ų)
0.74
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 C17H17N3O
MW 279.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

EC50 2 meas. best 4.44
IC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.12 5.12 7568.0 1
Protein Rev
CHEMBL1293282
IC50 4.8 4.8 15785.0 1
Kallikrein-7
CHEMBL2443
EC50 4.44 4.44 36682.0 1
Unchecked
CHEMBL612545
EC50 4.38 4.38 42046.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine