Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00097
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| Drug Name |
Abemaciclib
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| Synonyms |
1231929-97-7; Abemaciclib,LY2835219; LY-2835219; LY2835219; LY2835219 free base; UNII-60UAB198HK; Verzenio
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Approved | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C27H32F2N8
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| Canonical SMILES |
CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
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| InChI |
InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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| InChIKey |
UZWDCWONPYILKI-UHFFFAOYSA-N
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| CAS Number |
CAS 1231929-97-7
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| Pharmaceutical Properties | Molecular Weight | 506.6 | Topological Polar Surface Area | 75 | ||
| Heavy Atom Count | 37 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 9 | |||
| XLogP |
3.8
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 2-Oct | Transporter Info | Organic cation transporter 2 | Substrate | [2] | |
| MATE1 | Transporter Info | Multidrug and toxin extrusion protein 1 | Substrate | [2] | ||
| MATE2 | Transporter Info | Multidrug and toxin extrusion protein 2 | Substrate | [2] | ||
| References | ||||||
| 1 | Abemaciclib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Abemaciclib Inhibits Renal Tubular Secretion Without Changing Glomerular Filtration Rate. Clin Pharmacol Ther. 2019 May;105(5):1187-1195. | |||||
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