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Compound Detail

CHEMBL5812169

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CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5812169
Phase Preclinical
Structure Type MOL
InChI Key RIVSHGVTJDTCGC-IRXDYDNUSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
0.57
ALogP
7
HBA
2
HBD
116.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H32N6O4S
MW 440.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.29

Activity Summary

EC50 2 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Orexin receptor type 2
CHEMBL4792
 EC50 8.34 8.34 4.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Orexin receptor type 2 EC50 = 4.6 nM 8.34 Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... -
Orexin receptor type 2 EC50 = 4.6 nM 8.34 Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... -

Data from ChEMBL 36 via Core Engine