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Compound Detail

CHEMBL328001

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COCCOCCCc1c[nH]cn1.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328001
Phase Preclinical
Structure Type MOL
InChI Key VTEVROIOALVEFW-BTJKTKAUSA-N
Parent Compound CHEMBL1184008
Active Moiety CHEMBL1184008
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
1.01
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N2O6
MW 300.31
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.65

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