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Compound Detail

CHEMBL3186534

RIVOCERANIB
🧪 Phase III
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🧪 Phase III
N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3186534
Name RIVOCERANIB
Phase Phase III
Structure Type MOL
InChI Key WPEWQEMJFLWMLV-UHFFFAOYSA-N

Known Names

Apatinib Apatinib free base Rivoceranib YN968D1 YN968D1 FREE BASE
6
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names
20
Indications

Molecular Properties

397.5
MW (Da)
4.68
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -anib
USAN Year 2017

Extended Properties

Molecular Formula C24H23N5O
MW 397.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Indications

Adenocarcinoma Breast Neoplasms Breast Neoplasms Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Colorectal Neoplasms Colorectal Neoplasms Esophageal Neoplasms Esophageal Neoplasms Esophageal Neoplasms Melanoma Nasopharyngeal Carcinoma Ovarian Neoplasms Ovarian Neoplasms Small Cell Lung Carcinoma Stomach Neoplasms Stomach Neoplasms Stomach Neoplasms Stomach Neoplasms

Activity Summary

Kd 3 meas. best 6.96
EC50 2 meas. best 5.6
IC50 2 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Kd 6.96 6.96 111.0 1
Receptor-interacting serine/threonine-protein kinase 3
CHEMBL1795199
 Kd 5.62 5.62 2373.0 1
Vaccinia virus
CHEMBL613493
 EC50 5.6 5.585 2500.0 2
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
 Kd 5.32 5.32 4760.0 1
K562
CHEMBL385
 IC50 4.83 4.83 14910.0 1
K562/A02
CHEMBL4296448
 IC50 4.7 4.7 19760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret Kd = 111.0 nM 6.96 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Receptor-interacting serine/threonine-protein kinase 3 Kd = 2373.0 nM 5.62 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Vaccinia virus EC50 = 2500.0 nM 5.6 Antiviral activity against Vaccinia virus infected in African green monkey BSC-1... 36961984
Vaccinia virus EC50 = 2700.0 nM 5.57 Antiviral activity against Vaccinia virus VG9 infected in African green monkey B... 36961984
Mitogen-activated protein kinase kinase kinase 20 Kd = 4760.0 nM 5.32 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
K562 IC50 = 14910.0 nM 4.83 Cytotoxicity against human K562 cells after 48 hrs by MTT assay 28301155
K562/A02 IC50 = 19760.0 nM 4.7 Cytotoxicity against human K562/A02 cells overexpressing P-gp after 48 hrs by MT... 28301155

Literature References

PubMed DOI Target Context # Activities
28301155 10.1021/acs.jmedchem.6b01879 ATP-dependent translocase ABCB1 9
29191878 10.1126/science.aan4368 Unchecked 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
36961984 10.1021/acs.jmedchem.3c00069 Vaccinia virus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Beta-adrenergic receptor kinase 1 1
29191878 10.1126/science.aan4368 Adenosine kinase 1
39241669 10.1016/j.ejmech.2024.116822 Caov-4 1
29191878 10.1126/science.aan4368 AarF domain-containing protein kinase 1 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1

Data from ChEMBL 36 via Core Engine