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

CHEMBL318338

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
CCCN1Cc2cc(C)ccc2[C@@H]2c3cc(O)c(O)cc3CC[C@H]21

Basic Information

ChEMBL ID CHEMBL318338
Phase Preclinical
Structure Type MOL
InChI Key IFODQCSLFYJCSE-WIYYLYMNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.08
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO2
MW 323.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.61

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 5
CHEMBL2880
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7636869 10.1021/jm00016a009 Adenylate cyclase type 5 2
7636869 10.1021/jm00016a009 D(1A) dopamine receptor 1
7636869 10.1021/jm00016a009 D(2) dopamine receptor 1
7636869 10.1021/jm00016a009 Dopamine receptors; D1 & D2 1

Data from ChEMBL 36 via Core Engine