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Compound Detail

CHEMBL1393367

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O=C(Nc1cc(N2CCCCC2)ncn1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1393367
Phase Preclinical
Structure Type MOL
InChI Key BRHZZEILTNZERC-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.72
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O
MW 282.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.84

Activity Summary

IC50 4 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
IC50 7.64 7.26 23.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine