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Compound Detail

CHEMBL1522356

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Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl

Basic Information

ChEMBL ID CHEMBL1522356
Phase Preclinical
Structure Type MOL
InChI Key CIFNQWVKJRAUOK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
5.84
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14Cl2N2S
MW 373.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.36

Activity Summary

IC50 2 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.28 5.28 5266.0 1
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.16 5.16 6883.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine