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ACTIVE PHARMA INGREDIENTS

2 NDC API

2 NDC API

Synopsis

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Chemistry

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Also known as: 1058156-90-3, Catequentinib, Al3818, Al-3818, Al 3818, Gkf8s4c432

Molecular Formula

C₂₃H₂₂FN₃O₃

Molecular Weight

407.4 g/mol

InChI Key

KSMZEXLVHXZPEF-UHFFFAOYSA-N

FDA UNII

GKF8S4C432

Anlotinib is a receptor tyrosine kinase (RTK) inhibitor with potential antineoplastic and anti-angiogenic activities. Upon administration, anlotininib targets multiple RTKs, including vascular endothelial growth factor receptor type 2 (VEGFR2) and type 3 (VEGFR3). This agent may both inhibit angiogenesis and halt tumor cell growth.

1 2D Structure

Anlotinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine

2.1.2 InChI

InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3

2.1.3 InChI Key

KSMZEXLVHXZPEF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(N1)C=CC(=C2F)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC

2.2 Other Identifiers

2.2.1 UNII

GKF8S4C432

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Al3818

2.3.2 Depositor-Supplied Synonyms

1. 1058156-90-3

2. Catequentinib

3. Al3818

4. Al-3818

5. Al 3818

6. Gkf8s4c432

7. 1-[[4-[(4-fluoro-2-methyl-1h-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine

8. Cyclopropanamine, 1-(((4-((4-fluoro-2-methyl-1h-indol-5-yl)oxy)-6-methoxy-7-quinolinyl)oxy)methyl)-

9. Catequentinib [inn]

10. Unii-gkf8s4c432

11. Catequentinib [who-dd]

12. Gtpl9601

13. Schembl2063386

14. Chembl4303201

15. Bcp24991

16. Ex-a2427

17. Nsc832523

18. Zinc117924202

19. Cs-5396

20. Db11885

21. Nsc-832523

22. Sb19798

23. Hy-19716

24. 4678b

25. C13643

26. Q27279141

27. 1-(((4-((4-fluoro-2-methyl-1h-indol-5-yl)oxy)-6-methoxy-7-quinolinyl)oxy)methyl)cyclopropanamine

28. 1-(((4-((4-fluoro-2-methyl-1h-indol-5-yl)oxy)-6-methoxyquinolin-7-yl)oxy)methyl)cyclopropan-1-amine

29. 1-((4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-6-methoxyquinolin-7-yloxy)methyl)cyclopropan-amine

2.4 Create Date

2008-11-03

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₂FN₃O₃
Molecular Weight	407.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	407.16451973 g/mol
Monoisotopic Mass	407.16451973 g/mol
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	606
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1