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Compound Detail

CHEMBL492242

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CN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1

Basic Information

ChEMBL ID CHEMBL492242
Phase Preclinical
Structure Type MOL
InChI Key JRUZDFQRGNNPSN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
1.15
ALogP
6
HBA
1
HBD
71.2
PSA (Ų)
0.84
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 C14H16F2N6
MW 306.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 7.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL4468
EC50 7.81 7.81 15.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 15.49 nM 7.81 Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... 18811133

Literature References

PubMed DOI Target Context # Activities
18811133 10.1021/jm8005959 Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine