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Compound Detail

CHEMBL3680072

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C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCNCC4)C3=O)c(F)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3680072
Phase Preclinical
Structure Type MOL
InChI Key NMXQZQXMDCSPDO-ICSRJNTNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
3.39
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.82
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 C24H35FN4O
MW 414.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine receptor H3
CHEMBL5299
 Ki 10.22 10.22 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine receptor H3 Ki = 0.06 nM 10.22 Radioligand Binding Assay: The compounds of this invention have been demonstrate... -

Data from ChEMBL 36 via Core Engine