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Compound Detail

CHEMBL488885

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CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12

Basic Information

ChEMBL ID CHEMBL488885
Phase Preclinical
Structure Type MOL
InChI Key CWEDRJVOSVCILZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
1.73
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.90
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 C15H21N5
MW 271.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.28

Activity Summary

Ki 2 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 6.2 6.18 631.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19053770 10.1021/jm800876b Histamine H4 receptor 1
20192225 10.1021/jm901379s Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine