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Compound Detail

CHEMBL1523989

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CN(C)c1nnnn1-c1ccc(Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1523989
Phase Preclinical
Structure Type MOL
InChI Key PKWLCEGUCSOJAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.52
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 270.0 nM 6.57 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -

Data from ChEMBL 36 via Core Engine