BEMCENTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0ICW2LX8AS

Structure
InChI Key KXMZDGSRSGHMMK-VWLOTQADSA-N
Smile Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2
InChI
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34N8
Molecular Weight 506.66
AlogP 4.88
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 97.78
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase receptor UFO inhibitor PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 100 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 530 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 1-14 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- 20 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 3900 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 3400 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1-6 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 3 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 37 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 8 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Inflammatory Breast Neoplasms 2 D058922 ClinicalTrials
Adenocarcinoma of Lung 2 D000077192 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Central Nervous System Neoplasms 0 D016543 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1037624-75-1
ChEMBL CHEMBL3809489
DrugBank DB12411
EPA CompTox DTXSID70673109
FDA SRS 0ICW2LX8AS
Guide to Pharmacology 10478
PubChem 46215462
SureChEMBL SCHEMBL1639904
ZINC ZINC000051951669
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