Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00379
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| Drug Name |
Melphalan
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| Synonyms |
(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid; (2s)-2-amino-3-(4-[bis(2-chloroethyl)amino]phenyl)propanoic acid; 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine; 3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; 3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine; 4-(Bis(2-chloroethyl)amino)-L-phenylalanine; 4-[Bis(2-chloroethyl)amino]-L-phenylalanine; 4-[Bis-(2-chloroethyl)amino]-L-phenylalanine; AY3360000; Alanine Nitrogen Mustard; Alkeran; Alkeran (TN); At-290; CB 3025; CB-3025; L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; L-3-(para-(Bis(2-chloroethyl)amino)phenyl)alanine; L-PAM; L-Phenylalanine mustard; L-Sarcolysin; L-Sarcolysine; L-Sarkolysin; Levofalan; Levofolan; Levopholan; MELPHALAN (SEE ALSO TRANSGENIC MODEL EVALUATION (MELPHALAN)); Melfalan; Melfalano; Melfalano [INN-Spanish]; Melphalan (JP15/USP/INN); Melphalan [USAN:INN:BAN:JAN]; Melphalanum; Melphalanum [INN-Latin]; P-Bis(beta-chloroethyl)aminophenylalanine; P-Di-(2-chloroethyl)amino-L-phenylalanine; P-L-Sarcolysin; P-L-sarcolysine; P-N,N-bis(2-chloroethyl)amino-L-phenylalanine; P-N-Bis(2-chloroethyl)amino-L-phenylalanine; P-N-Di(chloroethyl)aminophenylalanine; P-N-di(chloroethyl)aminophenylala nine; Phenylalanine mustard; Phenylalanine nitrogen mu stard; Phenylalanine nitrogen mustard; SK-15673; TRANSGENIC LEP (MELPHALAN) (SEE ALSO MELPHALAN); TRANSGENIC MODEL EVALUATION (MELPHALAN)
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| Drug Type |
Small molecular drug
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| Indication | Multiple myeloma [ICD11:2A83] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C13H18Cl2N2O2
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| Canonical SMILES |
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
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| InChI |
InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
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| InChIKey |
SGDBTWWWUNNDEQ-LBPRGKRZSA-N
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| CAS Number |
CAS 148-82-3
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| Pharmaceutical Properties | Molecular Weight | 305.2 | Topological Polar Surface Area | 66.6 | ||
| Heavy Atom Count | 19 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
-0.5
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| PubChem CID | ||||||
| PubChem SID |
10303302
,10321915
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,11361067
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,11376577
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,11484023
,11487890
,11490500
,11492697
,11494211
,14874007
,14898602
,17389837
,24278538
,26611805
,26680129
,26752787
,46509130
,47588994
,47662283
,47736480
,47959741
,48413968
,48416205
,48423637
,48425272
,49831062
,49855032
,49865835
,50105436
,50989121
,53790153
,56463160
,57288513
,57288721
,57405528
,611396
,7847435
,7979898
,8149411
,85789225
,91010646
,92307226
,9332
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| ChEBI ID |
ChEBI:28876
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Melphalan was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Multidrug resistance protein-mediated transport of chlorambucil and melphalan conjugated to glutathione. Br J Cancer. 1998;77(2):201-9. | |||||
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