IVOSIDENIB

Search structure
Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XX62
UNII: Q2PCN8MAM6

Structure
InChI Key WIJZXSAJMHAVGX-DHLKQENFSA-N
Smile N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1
InChI
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H22ClF3N6O3
Molecular Weight 582.97
AlogP 4.32
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 119.29
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
Primary Target
isocitrate dehydrogenase (NADP(+)) 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
12.47-27.23 3.5-13000 420-11000 - -
Enzyme Transferase
- - - - 2.998
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -13.79--1.77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Biliary Tract Neoplasms 3 D001661 ClinicalTrials
Myelodysplastic Syndromes 3 D009190 ClinicalTrials
Paraganglioma 2 D010235 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Chondrosarcoma 2 D002813 ClinicalTrials
Carcinoma, Pancreatic Ductal 1 D021441 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Leukemia, Myeloid 1 D007951 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.01
Injury, poisoning and procedural complications
16.15
Investigations
8.7
Cardiac disorders
8.39
Respiratory, thoracic and mediastinal disorders
7.45
Musculoskeletal and connective tissue disorders
5.28
Skin and subcutaneous tissue disorders
4.66
Nervous system disorders
4.35
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.04
Gastrointestinal disorders
3.73
Surgical and medical procedures
3.11
Infections and infestations
2.8
Vascular disorders
2.8
Blood and lymphatic system disorders
2.48
Metabolism and nutrition disorders
2.48

Cross References

Resources Reference
CAS NUMBER 1448347-49-6
ChEBI 145430
ChEMBL CHEMBL3989958
DrugBank DB14568
DrugCentral 5292
FDA SRS Q2PCN8MAM6
Guide to Pharmacology 9217
PubChem 71657455
SureChEMBL SCHEMBL15122512
ZINC ZINC000205136523
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