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Compound Detail

CHEMBL239226

LASELIPAG
🧪 Phase II
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🧪 Phase II
CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239226
Name LASELIPAG
Phase Phase II
Structure Type MOL
InChI Key OJQMKCBWYCWFPU-UHFFFAOYSA-N

Known Names

ACT-333679 ACT333679 J2.120.976G Laselipag MRE-269 MRE269
3
Targets
4
Activities
2
Assay Types
24
PK Parameters
20
Publications
6
Known Names

Molecular Properties

419.5
MW (Da)
4.91
ALogP
5
HBA
1
HBD
75.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C25H29N3O3
MW 419.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.60

Activity Summary

EC50 2 meas. best 7.66
IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostacyclin receptor
CHEMBL1995
 EC50 7.66 7.66 22.0 1
Prostaglandin D2 receptor
CHEMBL4427
 EC50 6.81 6.81 154.0 1
Plasma
CHEMBL613652
 IC50 6.7 6.7 200.0 1
Prostacyclin receptor
CHEMBL1995
 IC50 6.54 6.54 288.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 5200.0 ng.hr.mL-1 Rattus norvegicus
AUC 72500.0 ng.hr.mL-1 Canis lupus familiaris
AUC 17700.0 ng.hr.mL-1 Rattus norvegicus
AUC 176000.0 ng.hr.mL-1 Canis lupus familiaris
AUC 650.0 ng.hr.mL-1 Macaca fascicularis
AUC 652.0 ng.hr.mL-1 Macaca fascicularis
Cmax 4528.88 nM Rattus norvegicus
Cmax 35515.93 nM Canis lupus familiaris
Cmax 262.2 nM Macaca fascicularis
Cmax 250.28 nM Macaca fascicularis
F 102.0 % Rattus norvegicus
F 80.0 % Canis lupus familiaris
T1/2 4.9 hr Rattus norvegicus
T1/2 5.9 hr Canis lupus familiaris
T1/2 3.6 hr Rattus norvegicus
T1/2 6.2 hr Canis lupus familiaris
T1/2 5.6 hr Macaca fascicularis
T1/2 5.6 hr Macaca fascicularis
t1/2 - - Homo sapiens
t1/2 - - Rattus norvegicus
Tmax 0.8 hr Rattus norvegicus
Tmax 0.8 hr Canis lupus familiaris
Tmax 2.3 hr Macaca fascicularis
Tmax 2.3 hr Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostacyclin receptor EC50 = 22.0 nM 7.66 Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells asse... 28072531
Prostaglandin D2 receptor EC50 = 154.0 nM 6.81 Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells ass... 28072531
Plasma IC50 = 200.0 nM 6.7 Inhibition of ADP-induced platelet aggregation in human platelet rich plasma 17764960
Prostacyclin receptor IC50 = 288.0 nM 6.54 Agonist activity at IP receptor in human primary platelets assessed as inhibitio... 28072531

Literature References

PubMed DOI Target Context # Activities
17764960 10.1016/j.bmc.2007.08.010 Rattus norvegicus 7
17764960 10.1016/j.bmc.2007.08.010 Canis familiaris 7
28072531 10.1021/acs.jmedchem.6b00871 Prostacyclin receptor 6
17764960 10.1016/j.bmc.2007.08.010 Cynomolgus monkey 4
17881233 10.1016/j.bmc.2007.08.052 Cynomolgus monkey 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
28072531 10.1021/acs.jmedchem.6b00871 ADMET 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
28072531 10.1021/acs.jmedchem.6b00871 Prostaglandin D2 receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine