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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23N3O2
Molecular Weight 349.4262
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PANOBINOSTAT

SMILES

CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=FPOHNWQLNRZRFC-ZHACJKMWSA-N
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+

HIDE SMILES / InChI
Molecular Formula C21H23N3O2
Molecular Weight 349.4262
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:02:01 UTC 2023
Edited
by admin
on Fri Dec 15 18:02:01 UTC 2023
Record UNII
9647FM7Y3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PANOBINOSTAT
DASH   INN   MART.   MI   USAN   WHO-DD  
INN   USAN  
Official Name English
PANOBINOSTAT [MART.]
Common Name English
2-PROPENAMIDE, N-HYDROXY-3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)-, (2E)-
Systematic Name English
PANOBINOSTAT [USAN]
Common Name English
(2E)-N-Hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide
Systematic Name English
Panobinostat [WHO-DD]
Common Name English
PANOBINOSTAT [MI]
Common Name English
panobinostat [INN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175588
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
FDA ORPHAN DRUG 291509
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
FDA ORPHAN DRUG 244407
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
WHO-VATC QL01XX42
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
FDA ORPHAN DRUG 705919
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
FDA ORPHAN DRUG 376212
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
WHO-ATC L01XX42
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
EU-Orphan Drug EU/3/09/721
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
NCI_THESAURUS C1946
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
Code System Code Type Description
MESH
C496932
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID40193506
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
DRUG BANK
DB06603
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
CAS
404950-80-7
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
ChEMBL
CHEMBL483254
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
WIKIPEDIA
PANOBINOSTAT
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
USAN
YY-135
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
CHEBI
85990
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
NDF-RT
N0000182137
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY Cytochrome P450 2D6 Inhibitors [MoA]
DRUG CENTRAL
4682
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
PUBCHEM
6918837
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
DAILYMED
9647FM7Y3Z
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
EVMPD
SUB31049
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
MERCK INDEX
m8383
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY Merck Index
SMS_ID
100000115952
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
NCI_THESAURUS
C66948
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
FDA UNII
9647FM7Y3Z
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
INN
8805
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
IUPHAR
7489
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY
RXCUI
1603350
Created by admin on Fri Dec 15 18:02:01 UTC 2023 , Edited by admin on Fri Dec 15 18:02:01 UTC 2023
PRIMARY RxNorm
Related Record Type Details
HISTONE DEACETYLASE 8
TARGET->WEAK INHIBITOR
IC50
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
OCT-1
TRANSPORTER -> INHIBITOR
Structure of PANOBINOSTAT LACTATE
SALT/SOLVATE -> PARENT
HISTONE DEACETYLASE 6
TARGET -> INHIBITOR
IC50
Structure of PANOBINOSTAT
EXCRETED UNCHANGED
URINE
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
HISTONE DEACETYLASE 11
TARGET -> INHIBITOR
IC50
OAT-3
TRANSPORTER -> INHIBITOR
HISTONE DEACETYLASE 5
TARGET -> INHIBITOR
IC50
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MINOR
HISTONE DEACETYLASE 2
TARGET -> INHIBITOR
IC50
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
OATP1B1
TRANSPORTER -> INHIBITOR
HISTONE DEACETYLASE 10
TARGET -> INHIBITOR
IC50
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A8
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
HISTONE DEACETYLASE 7
TARGET->WEAK INHIBITOR
IC50
OCT-2
TRANSPORTER -> INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
HISTONE DEACETYLASE 4
TARGET->WEAK INHIBITOR
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Panobinostat is approximately 90% bound to human plasma proteins in vitro and is independent of concentration.
BINDING
CYTOCHROME P450 2C19
METABOLIC ENZYME -> SUBSTRATE
MINOR
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A7
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
OATP-8
TRANSPORTER -> INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B4
METABOLIC ENZYME -> SUBSTRATE
IN VITRO
HISTONE DEACETYLASE 1
TARGET -> INHIBITOR
A PAN HDAC INHIBITOR.
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
HISTONE DEACETYLASE 3
TARGET -> INHIBITOR
IC50
Structure of PANOBINOSTAT HYDRATE
SOLVATE->ANHYDROUS
Structure of PANOBINOSTAT
EXCRETED UNCHANGED
FECAL
HISTONE DEACETYLASE 9
TARGET -> INHIBITOR
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
The fraction metabolized through CYP3A accounts for approximately 40% of the total hepatic panobinostat elimination.
Related Record Type Details
Structure of 4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)BENZENEACETIC ACID
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Structure of AFN-835
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Structure of 2-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)ETHAN-1-OL
METABOLITE -> PARENT
FECAL
Structure of BJB-432
METABOLITE INACTIVE -> PARENT
FECAL; PLASMA; URINE
Structure of 4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)BENZOIC ACID
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Related Record Type Details
Structure of PANOBINOSTAT
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
ORAL BIOAVAILABILITY PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC Elimination
PHARMACOKINETIC
Tmax PHARMACOKINETIC IN PATIENTS WITH ADVANCED CANCER

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