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Compound Detail

CHEMBL1445765

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COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1

Basic Information

ChEMBL ID CHEMBL1445765
Phase Preclinical
Structure Type MOL
InChI Key PPOBCCQZIPXZLX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.08
ALogP
5
HBA
1
HBD
69.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2
MW 283.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 4.6 4.6 24873.0 1
Protein Rev
CHEMBL1293282
IC50 4.17 4.17 67576.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine