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

CHEMBL274728

RP-68303
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
O=S1(=O)N(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2cccc3c2N1CCC3

Basic Information

ChEMBL ID CHEMBL274728
Name RP-68303
Phase Preclinical
Structure Type MOL
InChI Key NZUSTSFFNOEAHE-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.08
ALogP
3
HBA
1
HBD
59.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN4O2S
MW 468.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.11

Activity Summary

IC50 3 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 1 (5-HT1) receptor
CHEMBL2095159
IC50 8.92 8.92 1.2 1
Sodium-dependent serotonin transporter
CHEMBL313
IC50 8.92 8.92 1.2 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8487257 10.1021/jm00061a010 Mus musculus 4
- 10.1016/S0960-894X(01)80986-0 Mus musculus 2
8487257 10.1021/jm00061a010 Sodium-dependent serotonin transporter 1
8487257 10.1021/jm00061a010 Serotonin 2 (5-HT2) receptor 1
8487257 10.1021/jm00061a010 Adrenergic receptor alpha-1 1
8487257 10.1021/jm00061a010 D(2) dopamine receptor 1
- 10.1016/S0960-894X(01)80986-0 Serotonin 1 (5-HT1) receptor 1

Data from ChEMBL 36 via Core Engine