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Compound Detail

CHEMBL609675

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Cc1[nH]c(C)c(-c2cccc3c2CC[C@H](N(C)C)C3)c1C

Basic Information

ChEMBL ID CHEMBL609675
Phase Preclinical
Structure Type MOL
InChI Key IYZPWHQHIBURIH-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.03
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.88
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 C19H26N2
MW 282.43
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.08

Activity Summary

Ki 1 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 9.08 9.08 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 0.8318 nM 9.08 Binding affinity at rat 5-hydroxytryptamine 7 receptor. 14640545

Literature References

PubMed DOI Target Context # Activities
14640545 10.1021/jm030826m 5-hydroxytryptamine receptor 7 2

Data from ChEMBL 36 via Core Engine