SARACATINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9KD24QGH76

Structure
InChI Key OUKYUETWWIPKQR-UHFFFAOYSA-N
Smile CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1
InChI
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32ClN5O5
Molecular Weight 542.04
AlogP 3.94
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 90.44
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase ABL inhibitor
Primary Target
ABL proto-oncogene 1, non-receptor tyrosine kinase
LCK proto-oncogene, Src family tyrosine kinase
SRC proto-oncogene, non-receptor tyrosine kinase
YES proto-oncogene 1, Src family tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- - 16 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group
- - 16 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 1407 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 10000 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 108 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase WEE family
- 418-10000 2817 39.8-5200 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 27088 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 1121 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 11681 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 14000 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 2985 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 2 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - 4 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 142 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 3878 - -
Enzyme Kinase Protein Kinase TKL protein kinase group
- - 142 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 30-30 53 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - 4650 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Csk family
- 840-840 39553 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 42280 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 66-2600 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 10 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 200-200 140 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 178 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 1-76 100 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 10153 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 20900-21000 - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -26.13--10.64
Membrane receptor
- - 3602 - -
Other cytosolic protein
- - 16 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thymus Neoplasms 2 D013953 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Alcohol Drinking 2 D000428 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Myositis Ossificans 2 D009221 ClinicalTrials
Lymphangioleiomyomatosis 2 D018192 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 379231-04-6
ChEMBL CHEMBL217092
DrugBank DB11805
EPA CompTox DTXSID90191355
FDA SRS 9KD24QGH76
Guide to Pharmacology 7731
PDB H8H
PubChem 10302451
SureChEMBL SCHEMBL41547
ZINC ZINC000024811973
CONTENTS