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Compound Detail

CHEMBL5804153

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Oc1ccc2ccccc2c1-c1nc2ccccn2c1NC1CC1

Basic Information

ChEMBL ID CHEMBL5804153
Phase Preclinical
Structure Type MOL
InChI Key RZRBABBOFXTJPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.43
ALogP
4
HBA
2
HBD
49.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sal-like protein 4
CHEMBL6067463
IC50 6.96 6.96 109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sal-like protein 4 IC50 = 109.0 nM 6.96 TBD: TBD -

Data from ChEMBL 36 via Core Engine