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Compound Detail

CHEMBL1173808

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CC(C)(C)c1ccc(N2CCN(Cc3c[nH]cn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173808
Phase Preclinical
Structure Type MOL
InChI Key WKOBKDIXZOEFOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.03
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.95
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 C18H26N4
MW 298.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
20541426 10.1016/j.bmc.2010.04.052 Histamine H3 receptor 3

Data from ChEMBL 36 via Core Engine