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Compound Detail

CHEMBL1770975

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CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770975
Phase Preclinical
Structure Type MOL
InChI Key BEYCZAXPXQZGCU-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
1.92
ALogP
5
HBA
3
HBD
66.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H27N5
MW 277.42
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
 Ki 10.4 10.4 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 0.04 nM 10.4 Displacement of [3H]histamine from human histamine H4 receptor 21458260

Literature References

PubMed DOI Target Context # Activities
21458260 10.1016/j.bmcl.2011.03.017 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine