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Compound Detail

CHEMBL4097139

ICANBELIMOD
🧪 Phase II
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🧪 Phase II
CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)c(F)c3)no2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097139
Name ICANBELIMOD
Phase Phase II
Structure Type MOL
InChI Key YBIFMTGYWXNIRZ-UHFFFAOYSA-N

Known Names

AR-507630 AR507630 Icanbelimod S1p receptor agonist 1
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
4
Known Names
1
Indications

Molecular Properties

409.5
MW (Da)
4.26
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -imod

Extended Properties

Molecular Formula C23H24FN3O3
MW 409.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.50

Indications

Autoimmune Diseases

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 1
CHEMBL4333
 EC50 8.0 8.0 10.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 5.5 hr Rattus norvegicus
T1/2 5.5 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sphingosine 1-phosphate receptor 1 EC50 = 10.0 nM 8.0 Modulation of S1PR1 (unknown origin) 36758307

Literature References

PubMed DOI Target Context # Activities
28291340 10.1021/acs.jmedchem.6b01575 Rattus norvegicus 2
36758307 10.1016/j.ejmech.2023.115182 Sphingosine 1-phosphate receptor 1 1

Data from ChEMBL 36 via Core Engine