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Compound Detail

CHEMBL277341

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C[C@H](c1c[nH]cn1)[C@@H](C)N

Basic Information

ChEMBL ID CHEMBL277341
Phase Preclinical
Structure Type MOL
InChI Key QQTWSOMOTYJIQP-NTSWFWBYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

139.2
MW (Da)
0.86
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13N3
MW 139.20
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.08

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 0.8 nM 9.1 Binding affinity against Histamine H3 receptor 7752184

Literature References

PubMed DOI Target Context # Activities
7752184 10.1021/jm00010a003 Histamine H3 receptor 1
10197963 10.1021/jm980408v Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine