VATALANIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5DX9U76296

Structure
InChI Key YCOYDOIWSSHVCK-UHFFFAOYSA-N
Smile Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChI
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15ClN4
Molecular Weight 346.82
AlogP 5.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 50.7
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Macrophage colony stimulating factor receptor inhibitor PubMed PubMed
Primary Target
kinase insert domain receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase CRIK subfamily
- - 8800-8800 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- - - - 49
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK8 subfamily
- - 1500 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 1900 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 4400-4400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - - - 25
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 270-270 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 458 - - 46-67
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 31
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 490 5-700 - 72
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 7600-7600 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 2400-2700 - 16
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 10-6754 190-330 - 58
Surface antigen
- - 21200 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colonic Neoplasms 3 D003110 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
von Hippel-Lindau Disease 2 D006623 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neoplasm Metastasis 1 D009362 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Macular Degeneration 1 D008268 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Kidney Neoplasms 1 D007680 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 212141-54-3
ChEBI 90620
ChEMBL CHEMBL101253
DrugBank DB04879
EPA CompTox DTXSID2046919
FDA SRS 5DX9U76296
Guide to Pharmacology 5705
PubChem 151194
SureChEMBL SCHEMBL18286
ZINC ZINC000000007460
CONTENTS