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Compound Detail

CHEMBL91897

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CC(C)(C)OCCc1c[nH]cn1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91897
Phase Preclinical
Structure Type MOL
InChI Key ALSRTXVUQIDLAS-UHFFFAOYSA-N
Parent Compound CHEMBL1179653
Active Moiety CHEMBL1179653
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
1.77
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.75
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 C11H18N2O5
MW 258.27
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.49

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