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Compound Detail

CHEMBL3986824

LANRAPLENIB
🧪 Phase II
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🧪 Phase II
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3986824
Name LANRAPLENIB
Phase Phase II
Structure Type MOL
InChI Key XCIGZBVOUQVIPI-UHFFFAOYSA-N

Known Names

GS-SYK Lanraplenib
3
Targets
24
Activities
2
Assay Types
23
PK Parameters
11
Publications
2
Known Names
5
Indications
1
Mechanisms

Molecular Properties

443.5
MW (Da)
2.03
ALogP
10
HBA
2
HBD
109.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -plenib
USAN Year 2019

Extended Properties

Molecular Formula C23H25N9O
MW 443.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.25

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase SYK inhibitor INHIBITOR Tyrosine-protein kinase SYK ✓ ✓

Indications

Lupus Erythematosus, Cutaneous Lupus Erythematosus, Systemic Sjogren's Syndrome Inflammation Leukemia, Myeloid, Acute

Activity Summary

EC50 13 meas. best 7.62
IC50 11 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 8.21 7.9833 6.2 9
Tyrosine-protein kinase SYK
CHEMBL2599
 EC50 7.62 7.0062 24.0 13
CD63 antigen
CHEMBL3713303
 IC50 7.1 7.1 80.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.92 6.92 120.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 4523.9 ng.hr.mL-1 Canis lupus familiaris
AUC 3902.98 ng.hr.mL-1 Canis lupus familiaris
AUC 2865.14 ng.hr.mL-1 Homo sapiens
AUC 2745.39 ng.hr.mL-1 Homo sapiens
CL 1.833 mL.min-1.kg-1 Homo sapiens
CL 23.33 mL.min-1.kg-1 Rattus norvegicus
CL 29.5 mL.min-1.kg-1 Rattus norvegicus
CL 4.667 mL.min-1.kg-1 Canis lupus familiaris
CL 5.5 mL.min-1.kg-1 Canis lupus familiaris
CL 4.667 mL.min-1.kg-1 Macaca mulatta
CL 9.667 mL.min-1.kg-1 Macaca mulatta
CL 0.8333 mL.min-1.kg-1 Homo sapiens
CL 1.833 mL.min-1.kg-1 Homo sapiens
F 60.0 % Rattus norvegicus
F 100.0 % Canis lupus familiaris
F 100.0 % Macaca mulatta
Fu 0.118 - Rattus norvegicus
Fu 0.385 - Canis lupus familiaris
Fu 0.322 - Macaca mulatta
Fu 0.204 - Homo sapiens
T1/2 3.7 hr Rattus norvegicus
T1/2 5.3 hr Canis lupus familiaris
T1/2 2.3 hr Macaca mulatta

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 6.2 nM 8.21 Inhibition of SYK (unknown origin) 37676858
Tyrosine-protein kinase SYK IC50 = 6.2 nM 8.21 Inhibition of SYK (unknown origin) 37984216
Tyrosine-protein kinase SYK IC50 = 6.2 nM 8.21 Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in p... 32292557
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... -
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 Biochemical Assay: Syk activity was measured using KinEASE (Cisbio), a time-reso... -
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Immunoassay: Syk ... -
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... -
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 High Throughput Biochemical Assay: Syk activity was measured using KinEASE (Cisb... -
Tyrosine-protein kinase SYK IC50 = 13.5 nM 7.87 High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... -
Tyrosine-protein kinase SYK EC50 = 24.0 nM 7.62 Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(... 32292557
Tyrosine-protein kinase SYK EC50 = 26.0 nM 7.58 Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM... 32292557
Tyrosine-protein kinase SYK EC50 = 34.0 nM 7.47 Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM... 32292557
Tyrosine-protein kinase SYK EC50 = 37.0 nM 7.43 Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM... 32292557
Tyrosine-protein kinase SYK EC50 = 51.0 nM 7.29 Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM... 32292557
Tyrosine-protein kinase SYK EC50 = 73.0 nM 7.14 Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1... 32292557
CD63 antigen IC50 = 80.0 nM 7.1 High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... -
Tyrosine-protein kinase SYK EC50 = 90.0 nM 7.05 Inhibition of SYK (unknown origin) in macrophages assessed as reduction in immun... 32292557
Tyrosine-protein kinase SYK EC50 = 108.0 nM 6.97 Inhibition of SYK-mediated alpha IgM/alpha CD40-stimulated human B lymphocytes p... 32292557
Tyrosine-protein kinase SYK EC50 = 112.0 nM 6.95 Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM... 32292557
Tyrosine-protein kinase JAK2 IC50 = 120.0 nM 6.92 Inhibition of wild-type human partial length JAK2 JH1 catalytic domain (A829 to ... 32292557

Literature References

PubMed DOI Target Context # Activities
32292557 10.1021/acsmedchemlett.9b00621 ADMET 32
32292557 10.1021/acsmedchemlett.9b00621 Tyrosine-protein kinase SYK 15
32292557 10.1021/acsmedchemlett.9b00621 No relevant target 3
32292557 10.1021/acsmedchemlett.9b00621 Hepatocyte 2
32292557 10.1021/acsmedchemlett.9b00621 Unchecked 2
32292557 10.1021/acsmedchemlett.9b00621 Mus musculus 2
37676858 10.1021/acs.jmedchem.3c01101 No relevant target 2
32292557 10.1021/acsmedchemlett.9b00621 Tyrosine-protein kinase JAK2 1
37984216 10.1016/j.bmc.2023.117514 Tyrosine-protein kinase SYK 1
37676858 10.1021/acs.jmedchem.3c01101 Tyrosine-protein kinase SYK 1
37676858 10.1021/acs.jmedchem.3c01101 ADMET 1

Data from ChEMBL 36 via Core Engine