All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

daunorubicinol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
antineoplastics, daunorubicin derivatives	4719	28008-55-1

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: daunorubicinol daunomycinol dihydrodaunomycin duborimycin Leukaemomycin D daunorubicinol hydrochloride	main metabolite of daunomycin Molecular weight: 529.54 Formula: C27H31NO10 CLOGP: 1.30 LIPINSKI: 3 HAC: 11 HDO: 6 TPSA: 189 ALOGS: -2.78 ROTB: 4

Drug dosage:

None

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	4	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	25 %	Benet LZ, Broccatelli F, Oprea TI

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	1.040		Moderate	0.77
caco2-efflux	Caco-2 efflux ratio (BA/AB)	11.668		Moderate	0.77
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	3.690	10^-6 cm/s	Moderate	0.77
dh-clint	Dog hepatocyte intrinsic clearance	3.013	uL/min/10^6 cells	Moderate	0.77
dppb	Dog plasma protein binding (% unbound)	27.730	%	Moderate	0.77
fcs-ppb	Fetal calf serum protein binding (% unbound)	23.860	%	Moderate	0.77
herg	hERG pIC50	4.574	pIC50	Moderate	0.77
hh-clint	Human hepatocyte intrinsic clearance	1.726	uL/min/10^6 cells	Moderate	0.77
hlm-clint	Human liver microsomal intrinsic clearance	3.214	uL/min/mg protein	Moderate	0.77
hppb	Human plasma protein binding (% unbound)	18.780	%	Moderate	0.77
kinase-safety-class	ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GSK3B,ITK,KDR,KIT,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1	41
mdck-mdr1-bcrp-efflux	MDCK-MDR1-BCRP efflux ratio	24.547		Moderate	0.77
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	10.789		Moderate	0.77
mh-clint	Mouse hepatocyte intrinsic clearance	7.079		Moderate	0.77
mppb	Mouse plasma protein binding (% unbound)	18.990		Moderate	0.77
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	18.072		Moderate	0.77
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pld-class	Phospholipidosis risk class (1 = positive, 0 = negative)	0		Moderate	0.68
pppb	Pig plasma protein binding (% unbound)	27.040	%	Moderate	0.77
rat-kpuu-brain	Rat brain Kpuu	0.022	%	Moderate	0.77
rh-clint	Rat hepatocyte intrinsic clearance	4.159	uL/min/10^6 cells	Moderate	0.77
rh-fuinc	Rat hepatocyte fraction unbound in incubation	58.050	%	Moderate	0.77
rppb	Rat plasma protein binding (% unbound)	16.350	%	Moderate	0.77
solubility-dd	Solubility at pH 7.4 in DMSO	102.094	uM	Moderate	0.77

Approvals:

Date	Agency	Company	Orphan
Jan. 1, 1964	YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

None

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	7.03	acidic
pKa2	10.09	acidic
pKa3	13.98	acidic
pKa4	8.6	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Multidrug resistance protein 1	Transporter	P08183	MDR1_HUMAN					WOMBAT-PK
DNA topoisomerase 2-alpha	Enzyme	P11388	TOP2A_HUMAN					WOMBAT-PK
Multidrug resistance-associated protein 1	Transporter	P33527	MRP1_HUMAN					WOMBAT-PK
ATP-binding cassette sub-family G member 2	Transporter	Q9UNQ0	ABCG2_HUMAN					WOMBAT-PK
Multidrug resistance-associated protein 6	Transporter	O95255	MRP6_HUMAN					WOMBAT-PK

External reference:

ID	Source
C0057159	UMLSCUI
CHEBI:31059	CHEBI
C000847	MESH_SUPPLEMENTAL_RECORD_UI
YDU8YIP30L	UNII
443832	PUBCHEM_CID
28008-53-9	SECONDARY_CAS_RN

Pharmaceutical products:

None