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Compound Detail

CHEMBL1581772

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O=C(Oc1ccnc2cc(Cl)ccc12)N1CCCCCC1

Basic Information

ChEMBL ID CHEMBL1581772
Phase Preclinical
Structure Type MOL
InChI Key QBGNBCNFOZTKHI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

304.8
MW (Da)
4.26
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN2O2
MW 304.78
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.05

Activity Summary

EC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
General amino acid permease AGP1
CHEMBL1741178
EC50 5.41 5.41 3856.0 1
Ammonium transporter MEP2
CHEMBL1741183
EC50 5.41 5.41 3857.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine