Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
vinca alkaloids	2826	53643-48-4

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: eldisine desacetylvinblastine amide vindesine sulfate vindesine compound 112531	Vinblastine derivative with antineoplastic activity against CANCER. Major side effects are myelosuppression and neurotoxicity. Vindesine is used extensively in chemotherapy protocols (ANTINEOPLASTIC COMBINED CHEMOTHERAPY PROTOCOLS). Molecular weight: 753.94 Formula: C43H55N5O7 CLOGP: 3.42 LIPINSKI: 2 HAC: 12 HDO: 5 TPSA: 164.82 ALOGS: -4.03 ROTB: 7

Molecule

Description

Molfile Inchi Smiles

Synonyms:

eldisine
desacetylvinblastine amide
vindesine sulfate
vindesine
compound 112531

Vinblastine derivative with antineoplastic activity against CANCER. Major side effects are myelosuppression and neurotoxicity. Vindesine is used extensively in chemotherapy protocols (ANTINEOPLASTIC COMBINED CHEMOTHERAPY PROTOCOLS).

Molecular weight: 753.94
Formula: C43H55N5O7
CLOGP: 3.42
LIPINSKI: 2
HAC: 12
HDO: 5
TPSA: 164.82
ALOGS: -4.03
ROTB: 7

Drug dosage:

None

ADMET properties:

Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.14 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution)	5 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	2.20 mL/min/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	35 hours	Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	2.172		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	68.707		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	0.296	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	2.051	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	15.460	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	39.450	%	High	1
herg	hERG pIC50	4.281	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	1.312	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	18.578	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	27.180	%	High	1
kinase-safety-class	ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PRKDC,TEK	19
kinase-selectivity-class	EIF2AK3	1
mdck-mdr1-bcrp-efflux	MDCK-MDR1-BCRP efflux ratio	1.905		High	0.93
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	7.261		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	11.455		High	1
mppb	Mouse plasma protein binding (% unbound)	18.710		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	12.162		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pld-class	Phospholipidosis risk class (1 = positive, 0 = negative)	1		High	0.83
pppb	Pig plasma protein binding (% unbound)	33.540	%	High	1
rat-kpuu-brain	Rat brain Kpuu	0.007	%	High	0.93
rh-clint	Rat hepatocyte intrinsic clearance	3.381	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	44.550	%	High	1
rppb	Rat plasma protein binding (% unbound)	20.750	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	807.235	uM	High	1

Approvals:

Date	Agency	Company	Orphan
Jan. 1, 1979	YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Myelosuppression	921.65	58.85	216	1787	53375	90573069
Bone marrow failure	155.39	58.85	48	1955	32173	90594271
White blood cell count decreased	128.96	58.85	66	1937	167043	90459401
Neutrophil count decreased	111.13	58.85	46	1957	71486	90554958
Leukopenia	92.98	58.85	45	1958	100665	90525779
Anaemia	83.62	58.85	66	1937	352736	90273708
Agranulocytosis	69.87	58.85	27	1976	34975	90591469
Pneumonia	67.09	58.85	76	1927	637983	89988461
Thrombocytopenia	60.24	58.85	44	1959	208681	90417763

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Myelosuppression	916.40	42.82	264	3084	40197	42577790
Bone marrow failure	247.13	42.82	94	3254	32999	42584988
Agranulocytosis	86.56	42.82	44	3304	30568	42587419
Stomatitis	81.14	42.82	50	3298	50279	42567708
Leukopenia	67.61	42.82	52	3296	74694	42543293
Pyrexia	60.10	42.82	109	3239	393933	42224054
Granulocyte count decreased	57.17	42.82	15	3333	1555	42616432
White blood cell count decreased	55.59	42.82	55	3293	110341	42507646
Candida infection	55.12	42.82	29	3319	21581	42596406
Febrile neutropenia	48.61	42.82	66	3282	185637	42432350

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Myelosuppression	1682.15	36.58	461	4992	93879	110489967
Bone marrow failure	421.47	36.58	143	5310	57705	110526141
White blood cell count decreased	171.06	36.58	118	5335	229272	110354574
Leukopenia	161.52	36.58	97	5356	148694	110435152
Agranulocytosis	143.53	36.58	67	5386	61693	110522153
Neutrophil count decreased	128.99	36.58	78	5375	120863	110462983
Pyrexia	96.31	36.58	164	5289	898101	109685745
Anaemia	91.45	36.58	123	5330	546963	110036883
Granulocyte count decreased	82.10	36.58	22	5431	3952	110579894
Pneumonia	80.91	36.58	150	5303	876564	109707282
Febrile neutropenia	76.78	36.58	86	5367	316681	110267165
Acute myeloid leukaemia	72.28	36.58	36	5417	38074	110545772
Neutropenia	68.29	36.58	88	5365	374532	110209314
Off label use	66.41	36.58	192	5261	1499993	109083853
Granulocytopenia	64.16	36.58	24	5429	12691	110571155
Platelet count decreased	58.25	36.58	64	5389	230379	110353467
Hypokalaemia	57.44	36.58	57	5396	182391	110401455
Candida infection	56.40	36.58	33	5420	47976	110535870
Hepatic function abnormal	52.78	36.58	40	5413	89255	110494591
Thrombocytopenia	51.47	36.58	74	5379	348811	110235035
Alopecia areata	49.42	36.58	13	5440	2174	110581672
Neurotoxicity	44.34	36.58	27	5426	42180	110541666
Mucosal inflammation	43.86	36.58	37	5416	96104	110487742
Second primary malignancy	43.15	36.58	20	5433	18048	110565798
Drug-induced liver injury	40.54	36.58	39	5414	120028	110463818
Stomatitis	39.34	36.58	57	5396	270185	110313661
Therapy partial responder	37.12	36.58	23	5430	37038	110546808

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	L01CA03	ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS Vinca alkaloids and analogues
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D000972	Antineoplastic Agents, Phytogenic
MeSH PA	D050256	Antimitotic Agents
MeSH PA	D050257	Tubulin Modulators
CHEBI has role	CHEBI:35610	antineoplastic agent

Related Drugs by ATC class:

L01CA Vinca alkaloids and analogues 5 drugs

vinblastine vincristine vinflunine vinorelbine vintafolide

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

Disease	Relation	SNOMED_ID	DOID
Acute lymphoid leukemia	indication	91857003	DOID:9952
Chronic myeloid leukemia	indication	92818009	DOID:8552
Malignant tumor of lung	indication	363358000
Malignant melanoma	indication	372244006

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	9.64	acidic
pKa2	13.81	acidic
pKa3	7.86	Basic
pKa4	6.98	Basic
pKa5	6.15	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
Cytochrome P450 3A4	Enzyme	P08684	CP3A4_HUMAN		Km	4.61		WOMBAT-PK

External reference:

ID	Source
4025282	VUID
N0000171809	NUI
D01769	KEGG_DRUG
59917-39-4	SECONDARY_CAS_RN
4025282	VANDF
4025283	VANDF
C0042682	UMLSCUI
CHEMBL238071	ChEMBL_ID
CHEMBL3989543	ChEMBL_ID
D014751	MESH_DESCRIPTOR_UI
DB00309	DRUGBANK_ID
3927	INN_ID
RSA8KO39WH	UNII
40839	PUBCHEM_CID
11204	RXNORM
003505	NDDF
003506	NDDF
349851002	SNOMEDCT_US
395921004	SNOMEDCT_US
409198005	SNOMEDCT_US
CHEBI:32295	CHEBI
RSA8KO39WH	INXIGHT DRUGS

Pharmaceutical products:

None

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

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

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

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: