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Compound Detail

CHEMBL4297610

OLUTASIDENIB
💊 Approved Drug
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💊 Approved Drug
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297610
Name OLUTASIDENIB
Phase Approved
Structure Type MOL
InChI Key NEQYWYXGTJDAKR-JTQLQIEISA-N
Therapeutic ✓ Yes

Known Names

Ft-2102 Olutasidenib Rezlidhia
2
Targets
25
Activities
1
Assay Types
0
PK Parameters
8
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

354.8
MW (Da)
2.92
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2022
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning
USAN Stem -sidenib
USAN Year 2018

Extended Properties

Molecular Formula C18H15ClN4O2
MW 354.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.36

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor INHIBITOR Isocitrate dehydrogenase [NADP] cytoplasmic ✓ ✓

Indications

Leukemia, Myeloid, Acute Myelodysplastic Syndromes

ATC Classification

L01XM03
olutasidenib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Drug Warnings

Black Box Warning
cardiotoxicity
Country: United States
Black Box Warning
carcinogenicity
Country: United States

Activity Summary

IC50 25 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Isocitrate dehydrogenase [NADP] cytoplasmic
CHEMBL2007625
 IC50 9.0 7.2754 1.0 24
Isocitrate dehydrogenase [NADP], mitochondrial
CHEMBL3991501
 IC50 4.56 4.56 27300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 1.0 nM 9.0 Biochemical Assay: Compound 1 was not initially reported as having the greatest ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 5.1 nM 8.29 Biochemical Assay: Compound 1 was not initially reported as having the greatest ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 6.0 nM 8.22 Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG ce... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 9.0 nM 8.05 Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG ce... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 9.0 nM 8.05 Inhibition of human Myc-DDK-tagged IDH1 R132S mutant expressed in human U87MG ce... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 12.9 nM 7.89 Enzymatic Assay: Assays were performed in a 384-well black plate. An aliquot of ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 14.3 nM 7.84 Enzymatic Assay: Assays were performed in a 384-well black plate. An aliquot of ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.0 nM 7.68 Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.0 nM 7.68 Inhibition of IDH1 (unknown origin) 39137454
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.2 nM 7.67 Biochemical Assay: Compound 1 was not initially reported as having the greatest ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.2 nM 7.67 In Vitro Biochemical Assay: Please see paper. -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.2 nM 7.67 Cell Based Assays: The cellular potency of Compound 1 in suppressing intracellul... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 21.2 nM 7.67 Inhibition of recombinant human Myc-DDK-tagged IDH1 R132H mutant using alpha-ket... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 39.0 nM 7.41 Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG ce... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 42.0 nM 7.38 Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG ce... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 67.1 nM 7.17 Enzymatic Assay: Assays were performed in a 384-well black plate. An aliquot of ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 77.0 nM 7.11 Enzymatic Assay: Assays were performed in a 384-well black plate. An aliquot of ... -
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 94.0 nM 7.03 Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 114.0 nM 6.94 Inhibition of recombinant human Myc-DDK-tagged IDH1 R132C mutant using alpha-ket... 31971798
Isocitrate dehydrogenase [NADP] cytoplasmic IC50 = 114.0 nM 6.94 Biochemical Assay: Compound 1 was not initially reported as having the greatest ... -

Literature References

PubMed DOI Target Context # Activities
31971798 10.1021/acs.jmedchem.9b01423 Isocitrate dehydrogenase [NADP] cytoplasmic 12
31971798 10.1021/acs.jmedchem.9b01423 ADMET 10
31971798 10.1021/acs.jmedchem.9b01423 Mus musculus 6
31971798 10.1021/acs.jmedchem.9b01423 No relevant target 3
31971798 10.1021/acs.jmedchem.9b01423 Isocitrate dehydrogenase [NADP], mitochondrial 2
31971798 10.1021/acs.jmedchem.9b01423 Unchecked 2
37235998 10.1016/j.ejmech.2023.115464 ADMET 2
39137454 10.1016/j.ejmech.2024.116759 Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine