Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01370
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| Drug Name |
Midostaurin
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| Synonyms |
PKC412; 120685-11-2; Cgp 41251; 4'-N-Benzoylstaurosporine; CGP-41251; Benzoylstaurosporine; PKC-412; RYDAPT; PKC 412; UNII-ID912S5VON; N-Benzoylstaurosporine; ID912S5VON; CHEMBL608533; CHEBI:63452; Cgp 41 251; N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide; PKC-412(Midostaurin); Midostaurin (PKC412); Midostaurin (USAN/INN); Midostaurin [USAN:INN]; CGP 41231; Rydapt (TN); CPG 41251
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| Drug Type |
Small molecular drug
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| Indication | Acute myeloid leukemia [ICD11:2A60] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C35H30N4O4
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| Canonical SMILES |
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
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| InChI |
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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| InChIKey |
BMGQWWVMWDBQGC-IIFHNQTCSA-N
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| CAS Number |
CAS 120685-11-2
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| Pharmaceutical Properties | Molecular Weight | 570.6 | Topological Polar Surface Area | 77.7 | ||
| Heavy Atom Count | 43 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
4.8
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| PubChem CID | ||||||
| PubChem SID |
14788708
,14935507
,22395186
,44927646
,47206756
,53786846
,57373453
,79311635
,99302777
,103734272
,123105168
,124659175
,124950161
,134348392
,135061643
,135610396
,137241200
,143298037
,172918683
,174006478
,177748492
,178102329
,179149698
,184812273
,198965438
,210274665
,210280297
,223656331
,233822082
,241376205
,248897758
,249617730
,252156932
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| ChEBI ID |
CHEBI:63452
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Midostaurin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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