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Compound Detail

CHEMBL23638

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CN1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL23638
Phase Preclinical
Structure Type MOL
InChI Key TVRFABREAYQAQA-PKOBYXMFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.71
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor IC50 = 26.0 nM 7.58 In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum 10866399

Literature References

PubMed DOI Target Context # Activities
10866399 10.1016/s0960-894x(00)00199-2 Histamine H1 receptor 1
10866399 10.1016/s0960-894x(00)00199-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine