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

CHEMBL3142699

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
Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](N3C=NC4C(=O)N=C(N)N=C43)C[C@@H]1O)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142699
Phase Preclinical
Structure Type MOL
InChI Key JITUGLJBUCFZNS-ASNUNVROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
0.47
ALogP
11
HBA
2
HBD
157.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N5O7P
MW 449.36
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
15139762 10.1021/jm031032a Acetylcholinesterase 1
15139762 10.1021/jm031032a Cholinesterase 1
15139762 10.1021/jm031032a Unchecked 1

Data from ChEMBL 36 via Core Engine