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Compound Detail

CHEMBL3989933

ETRASIMOD ARGININE
💊 Approved Drug
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💊 Approved Drug
N=C(N)NCCC[C@@H](N)C(=O)O.O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989933
Name ETRASIMOD ARGININE
Phase Approved
Structure Type MOL
InChI Key GVPVVOSNDUAUKM-YMQOIHNTSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL3358920
Active Moiety CHEMBL3358920

Known Names

APD-334 L-ARGININE APD334 L-Arginine Etrasimod arginine Velsipity
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
4
Known Names
1
Indications
3
Mechanisms

Molecular Properties

457.5
MW (Da)
6.93
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -imod
USAN Year 2016

Extended Properties

Molecular Formula C32H40F3N5O5
MW 631.70
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.07

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Sphingosine 1-phosphate receptor Edg-6 modulator MODULATOR Sphingosine 1-phosphate receptor 4 ✓ ✓
Sphingosine 1-phosphate receptor Edg-1 modulator MODULATOR Sphingosine 1-phosphate receptor 1 ✓ ✓
Sphingosine 1-phosphate receptor Edg-8 modulator MODULATOR Sphingosine 1-phosphate receptor 5 ✓ ✓

Indications

Colitis, Ulcerative

Data from ChEMBL 36 via Core Engine