Drug Information

General Information
Drug ID
DR00181
Drug Name
Panobinostat
Synonyms
(E)-N-HYDROXY-3-(4-{[2-(2-METHYL-1H-INDOL-3-YL)-ETHYLAMINO]-METHYL}-PHENYL)-ACRYLAMIDE; (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide; Faridak; LBH 589; LBH-589; LBH-589B; LBH589; NVP-LBH-589; NVP-LBH589; Panobinostat, NVP-LBH589, LBH589
Drug Type
Small molecular drug
Indication Multiple myeloma [ICD11:2A83] Approved [1]
Structure
3D MOL 2D MOL
Formula
C21H23N3O2
Canonical SMILES
CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO
InChI
InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKey
FPOHNWQLNRZRFC-ZHACJKMWSA-N
CAS Number
CAS 404950-80-7
Pharmaceutical Properties Molecular Weight 349.4 Topological Polar Surface Area 77.2
Heavy Atom Count 26 Rotatable Bond Count 7
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 3
XLogP
3
PubChem CID
6918837
PubChem SID
103632713 ,109693246 ,114788640 ,118049495 ,12015928 ,123051106 ,124756947 ,125163753 ,126657606 ,126666979 ,126731350 ,127342240 ,127342241 ,131404644 ,131465111 ,134339363 ,134964365 ,135252712 ,136340102 ,136345863 ,136367899 ,136379865 ,136920346 ,137003312 ,140114795 ,143497586 ,144116133 ,152212116 ,152237701 ,152258137 ,152344186 ,15274143 ,160646976 ,162011828 ,162037392 ,162193612 ,163312349 ,164194122 ,164825246 ,17195129 ,172086282 ,43530200 ,57372035 ,62645030 ,75710455 ,81055018 ,87226499 ,87350378 ,93300558 ,99436947
ChEBI ID
CHEBI:85990
TTD Drug ID
D0E3SH
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Panobinostat was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Panobinostat for the treatment of multiple myeloma: the evidence to date. J Blood Med. 2015 Oct 8;6:269-76.

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