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Compound Detail

CHEMBL1783973

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Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(C2CCN(C)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783973
Phase Preclinical
Structure Type MOL
InChI Key ZVMAXLHJDKBSDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
4.04
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.67
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 C25H32N4
MW 388.56
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
19443217 10.1016/j.bmcl.2009.04.128 Histamine H1 receptor 2
19443217 10.1016/j.bmcl.2009.04.128 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine