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Compound Detail

CHEMBL3680070

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Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O

Basic Information

ChEMBL ID CHEMBL3680070
Phase Preclinical
Structure Type MOL
InChI Key FSKJHDYTJDGTJD-UNMCSNQZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
3.55
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.83
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 C25H38N4O
MW 410.61
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine receptor H3
CHEMBL5299
Ki 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine receptor H3 Ki = 0.07 nM 10.15 Radioligand Binding Assay: The compounds of this invention have been demonstrate... -

Data from ChEMBL 36 via Core Engine