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Compound Detail

CHEMBL330063

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O=C(O)/C=C\C(=O)O.c1nc(COCCC2CCCCC2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330063
Phase Preclinical
Structure Type MOL
InChI Key XJJANVYSDKSWJT-BTJKTKAUSA-N
Parent Compound CHEMBL1184045
Active Moiety CHEMBL1184045
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
2.90
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O5
MW 324.38
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
15115409 10.1021/jm031065q Histamine H3 receptor 1
15115409 10.1021/jm031065q Mus musculus 1

Data from ChEMBL 36 via Core Engine