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Compound Detail

CHEMBL4279047

VORASIDENIB
💊 Approved Drug
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💊 Approved Drug
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279047
Name VORASIDENIB
Phase Approved
Structure Type MOL
InChI Key QCZAWDGAVJMPTA-RNFRBKRXSA-N
Therapeutic ✓ Yes

Known Names

Ag-881 Voranigo Vorasidenib
2
Targets
15
Activities
2
Assay Types
2
PK Parameters
12
Publications
3
Known Names
7
Indications
1
Mechanisms

Molecular Properties

414.7
MW (Da)
4.31
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2024
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -sidenib
USAN Year 2020

Extended Properties

Molecular Formula C14H13ClF6N6
MW 414.74
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.76

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
IDH1/IDH2 inhibitor INHIBITOR IDH1/IDH2 ✓ ✓

Indications

Astrocytoma Astrocytoma Oligodendroglioma Paraganglioma Glioma Liver Diseases Neoplasms

ATC Classification

L01XM04
vorasidenib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 13 meas. best 10.4
Kd 2 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Isocitrate dehydrogenase [NADP] cytoplasmic
CHEMBL2007625
 IC50 10.4 8.9143 0.0 7
Isocitrate dehydrogenase [NADP], mitochondrial
CHEMBL3991501
 IC50 8.15 6.6317 7.0 6
Isocitrate dehydrogenase [NADP] cytoplasmic
CHEMBL2007625
 Kd 5.55 5.425 2800.0 2

Pharmacokinetic Data

Parameter Value Units Species
CL 6.767 mL.min-1.kg-1 Mus musculus
CL 4.817 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 0.04 nM 10.4 Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 0.04 nM 10.4 Inhibition of IDH1 R132G mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 0.04 nM 10.4 Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 0.04 nM 10.4 Inhibition of IDH1 R132S mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 7.0 nM 8.15 Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.0 nM 7.68 Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escher... 36952395
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 118.0 nM 6.93 Inhibition of IDH2 R140Q mutant (unknown origin) in the presence of NADPH by flu... 37235998
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 130.0 nM 6.89 Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in 2-HG l... 29847930
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 130.0 nM 6.89 Inhibition of IDH2 R172K mutant (unknown origin) expressed in Escherichia coli B... 37235998
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 190.0 nM 6.72 Inhibition of wild type IDH1 (unknown origin) 37235998
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 374.0 nM 6.43 Inhibition of wildtype IDH2 (unknown origin) 37235998
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 395.0 nM 6.4 Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichi... 36952395
Isocitrate dehydrogenase [NADP] cytoplasmic Kd = 2800.0 nM 5.55 Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Esch... 36952395
Isocitrate dehydrogenase [NADP] cytoplasmic Kd = 5000.0 nM 5.3 Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in ... 36952395
Isocitrate dehydrogenase [NADP], mitochondrial IC50 = 32000.0 nM 4.5 Inhibition of wildtype IDH2 R172K mutant (unknown origin) 37235998

Literature References

PubMed DOI Target Context # Activities
36952395 10.1021/acs.jmedchem.3c00203 Isocitrate dehydrogenase [NADP] cytoplasmic 16
29847930 10.1021/acs.jmedchem.8b00159 Isocitrate dehydrogenase [NADP] cytoplasmic 4
37235998 10.1016/j.ejmech.2023.115464 Isocitrate dehydrogenase [NADP], mitochondrial 4
29847930 10.1021/acs.jmedchem.8b00159 Isocitrate dehydrogenase [NADP], mitochondrial 2
29847930 10.1021/acs.jmedchem.8b00159 ADMET 2
37235998 10.1016/j.ejmech.2023.115464 Unchecked 2
29847930 10.1021/acs.jmedchem.8b00159 U-87 MG 1
29847930 10.1021/acs.jmedchem.8b00159 Unchecked 1
29847930 10.1021/acs.jmedchem.8b00159 HT-1080 1
36952395 10.1021/acs.jmedchem.3c00203 Unchecked 1
37235998 10.1016/j.ejmech.2023.115464 Isocitrate dehydrogenase [NADP] cytoplasmic 1
37235998 10.1016/j.ejmech.2023.115464 ADMET 1

Data from ChEMBL 36 via Core Engine