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

CHEMBL1963462

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
C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963462
Phase Preclinical
Structure Type MOL
InChI Key DVRRHBYHAIRKEY-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.92
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32NO2+
MW 330.49
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.16

Pharmacokinetic Data

Parameter Value Units Species
CL 35.0 mL.min-1.g-1 Homo sapiens
CL 128.0 uL.min-1.(10^6cells)-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 5

Data from ChEMBL 36 via Core Engine