Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1173599

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1NC(C)(C)COC1(O)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173599
Phase Preclinical
Structure Type MOL
InChI Key FAQPJNPOZWJWED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.01
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O2
MW 222.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
20509659 10.1021/jm1003232 Mus musculus 6
20509659 10.1021/jm1003232 Acetylcholine receptor; alpha1/beta1/delta/gamma 2
20509659 10.1021/jm1003232 Neuronal acetylcholine receptor; alpha4/beta4 2
20509659 10.1021/jm1003232 Neuronal acetylcholine receptor; alpha4/beta2 2
20509659 10.1021/jm1003232 Neuronal acetylcholine receptor; alpha3/beta4 2
20509659 10.1021/jm1003232 Sodium-dependent serotonin transporter 1
20509659 10.1021/jm1003232 Sodium-dependent noradrenaline transporter 1
20509659 10.1021/jm1003232 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine