chlorambucil

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Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	0.09 mg/mL	Bocci G, Oprea TI, Benet LZ
EoM (Fraction excreted unchanged in urine)	0.50 %	Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.66 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	82 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution)	0.26 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	2.80 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.01 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	1.10 hours	Lombardo F, Berellini G, Obach RS

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	1.419		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	0.719		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	77.983	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	62.951	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	1.640	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	2	%	High	1
herg	hERG pIC50	4.742	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	36.058	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	29.923	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	1.250	%	High	1
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK14,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70	57
kinase-selectivity-class	AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK12,STK33,TEK	9
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	1.531		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	148.594		High	1
mppb	Mouse plasma protein binding (% unbound)	3.900		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	1.862		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	2.350	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	205.589	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	79.400	%	High	1
rppb	Rat plasma protein binding (% unbound)	1.100	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	603.949	uM	High	1

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
Progressive multifocal leukoencephalopathy	142.34	26.75	40	2432	15615	90610360
Neutropenia	130.11	26.75	79	2393	224825	90401150
Hypogammaglobulinaemia	91.22	26.75	26	2446	10648	90615327
Campylobacter infection	76.84	26.75	15	2457	1197	90624778
Thrombocytopenia	73.65	26.75	54	2418	208671	90417304
Disease progression	70.36	26.75	47	2425	156568	90469407
Myelodysplastic syndrome	59.03	26.75	22	2450	20881	90605094
Febrile neutropenia	58.14	26.75	42	2430	158307	90467668
Chronic lymphocytic leukaemia recurrent	51.49	26.75	9	2463	390	90625585
Neutropenic infection	48.55	26.75	11	2461	1798	90624177
Encephalitis viral	48.08	26.75	11	2461	1878	90624097
Chronic lymphocytic leukaemia	47.31	26.75	12	2460	3158	90622817
Adenocarcinoma of colon	38.82	26.75	10	2462	2796	90623179
Anaemia	35.86	26.75	46	2426	352756	90273219
Cytopenia	33.85	26.75	14	2458	17435	90608540
Pyrexia	33.04	26.75	62	2410	660423	89965552
Blood disorder	32.65	26.75	11	2461	7779	90618196
Diffuse large B-cell lymphoma	31.53	26.75	11	2461	8634	90617341
Lymphopenia	30.21	26.75	14	2458	22867	90603108
Off label use	29.88	26.75	81	2391	1102171	89523804
Tumour lysis syndrome	28.80	26.75	11	2461	11141	90614834
Blood lactate dehydrogenase increased	28.54	26.75	14	2458	25918	90600057
Serum sickness	27.44	26.75	8	2464	3534	90622441
Drug reaction with eosinophilia and systemic symptoms	27.11	26.75	16	2456	42742	90583233
Neutropenic sepsis	26.79	26.75	12	2460	18118	90607857

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
Acute myeloid leukaemia	233.89	26.71	91	5003	22165	42594076
Myositis	226.96	26.71	80	5014	14786	42601455
Microsporidia infection	198.57	26.71	42	5052	1110	42615131
Second primary malignancy	144.03	26.71	51	5043	9524	42606717
Polymyositis	123.86	26.71	31	5063	1742	42614499
Progressive multifocal leukoencephalopathy	116.92	26.71	46	5048	11490	42604751
Pneumonia	101.07	26.71	180	4914	421969	42194272
Malignant transformation	93.39	26.71	22	5072	956	42615285
Myelodysplastic syndrome	89.87	26.71	47	5047	22698	42593543
Cerebral aspergillosis	75.73	26.71	21	5073	1756	42614485
Neutropenia	75.18	26.71	105	4989	199326	42416915
Transformation to acute myeloid leukaemia	65.74	26.71	17	5077	1088	42615153
T-cell lymphoma stage IV	64.33	26.71	12	5082	162	42616079
Lymphopenia	58.98	26.71	35	5059	21528	42594713
Chronic lymphocytic leukaemia recurrent	58.43	26.71	14	5080	654	42615587
Tumour lysis syndrome	58.00	26.71	35	5059	22196	42594045
Blood stem cell transplant failure	57.77	26.71	13	5081	460	42615781
Pseudomonas infection	57.49	26.71	31	5063	15892	42600349
Device related infection	53.08	26.71	32	5062	20247	42595994
Cardiac disorder	52.82	26.71	45	5049	48887	42567354
Neutropenic sepsis	51.93	26.71	29	5065	15917	42600324
Thrombocytopenia	48.87	26.71	84	5010	190195	42426046
Hypersensitivity	48.32	26.71	51	5043	72319	42543922
Hypogammaglobulinaemia	48.16	26.71	25	5069	11866	42604375
Infusion related reaction	48.16	26.71	47	5047	60759	42555482
Treatment failure	45.16	26.71	46	5048	62578	42553663
Pyrexia	42.75	26.71	123	4971	393919	42222322
Febrile neutropenia	42.54	26.71	78	5016	185625	42430616
Enterococcal infection	42.23	26.71	23	5071	12016	42604225
Procalcitonin increased	41.46	26.71	14	5080	2262	42613979
Malignant neoplasm progression	39.11	26.71	56	5038	108344	42507897
Chronic lymphocytic leukaemia refractory	37.70	26.71	7	5087	92	42616149
Bone marrow failure	34.81	26.71	30	5064	33063	42583178
Disease progression	33.69	26.71	61	5033	143595	42472646
Cardiac failure congestive	33.51	26.71	46	5048	85556	42530685
Campylobacter infection	30.98	26.71	10	5084	1405	42614836
Respiratory tract infection	30.01	26.71	25	5069	26297	42589944
Genotoxicity	28.76	26.71	5	5089	44	42616197
Central nervous system lymphoma	27.14	26.71	9	5085	1376	42614865
Lymphadenopathy	26.78	26.71	26	5068	33339	42582902

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
Acute myeloid leukaemia	231.49	26.21	87	6620	38023	110544569
Progressive multifocal leukoencephalopathy	231.45	26.21	78	6629	24878	110557714
Myositis	222.10	26.21	80	6627	31036	110551556
Microsporidia infection	217.63	26.21	42	6665	1397	110581195
Neutropenia	178.43	26.21	161	6546	374459	110208133
Second primary malignancy	150.00	26.21	52	6655	18016	110564576
Myelodysplastic syndrome	135.64	26.21	59	6648	37425	110545167
Hypogammaglobulinaemia	122.43	26.21	46	6661	20030	110562562
Polymyositis	122.01	26.21	31	6676	3677	110578915
Thrombocytopenia	103.21	26.21	116	6591	348769	110233823
Campylobacter infection	98.92	26.21	24	6683	2355	110580237
Pneumonia	96.38	26.21	182	6525	876532	109706060
Tumour lysis syndrome	90.73	26.21	42	6665	30759	110551833
Chronic lymphocytic leukaemia recurrent	89.38	26.21	19	6688	1030	110581562
Lymphopenia	88.80	26.21	45	6662	40125	110542467
Malignant transformation	87.65	26.21	20	6687	1505	110581087
Cerebral aspergillosis	84.45	26.21	21	6686	2281	110580311
Febrile neutropenia	81.37	26.21	98	6609	316669	110265923
Disease progression	73.53	26.21	82	6625	243952	110338640
T-cell lymphoma stage IV	71.85	26.21	12	6695	171	110582421
Malignant neoplasm progression	65.60	26.21	66	6641	174501	110408091
Pyrexia	65.53	26.21	158	6549	898107	109684485
Neutropenic sepsis	63.76	26.21	33	6674	30713	110551879
Cardiac disorder	62.12	26.21	45	6662	76235	110506357
Pseudomonas infection	60.96	26.21	31	6676	27822	110554770
Device related infection	56.01	26.21	33	6674	39486	110543106
Procalcitonin increased	46.92	26.21	15	6692	4041	110578551
Transformation to acute myeloid leukaemia	46.51	26.21	12	6695	1511	110581081
Enterococcal infection	45.53	26.21	23	6684	20343	110562249
Chronic lymphocytic leukaemia	45.00	26.21	16	6691	5952	110576640
Cytopenia	44.92	26.21	26	6681	30090	110552502
Blood stem cell transplant failure	44.42	26.21	10	6697	708	110581884
Cardiac failure congestive	42.46	26.21	49	6658	150951	110431641
Neutropenic infection	41.69	26.21	13	6694	3232	110579360
Diffuse large B-cell lymphoma	41.64	26.21	20	6687	15878	110566714
Chronic lymphocytic leukaemia refractory	40.53	26.21	7	6700	123	110582469
JC virus infection	39.20	26.21	14	6693	5276	110577316
Drug reaction with eosinophilia and systemic symptoms	38.30	26.21	35	6672	82060	110500532
Chills	37.88	26.21	52	6655	190528	110392064
Respiratory tract infection	36.31	26.21	32	6675	71585	110511007
Panniculitis	36.01	26.21	18	6689	15564	110567028
Septic shock	35.95	26.21	46	6661	157482	110425110
Bone marrow failure	35.81	26.21	29	6678	57819	110524773
Off label use	35.09	26.21	181	6526	1500004	109082588
Anaemia	34.24	26.21	91	6616	546995	110035597
Dermatitis exfoliative generalised	32.41	26.21	15	6692	10957	110571635
Lymphadenopathy	31.32	26.21	28	6679	63807	110518785
Blood disorder	30.83	26.21	14	6693	9796	110572796
Squamous cell carcinoma	30.38	26.21	17	6690	18446	110564146
Encephalitis viral	30.23	26.21	10	6697	2997	110579595
Neoplasm progression	29.08	26.21	27	6680	64568	110518024
Cytomegalovirus infection	28.95	26.21	25	6682	54419	110528173
Blood pressure decreased	28.47	26.21	35	6672	115056	110467536
Intraductal papillary mucinous neoplasm	27.36	26.21	7	6700	852	110581740
Pain	27.19	26.21	12	6695	954943	109627649

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chlorambucil 🐶 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:

Source	Code	Description
ATC	L01AA02	ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS ALKYLATING AGENTS Nitrogen mustard analogues
FDA MoA	N0000000236	Alkylating Activity
FDA EPC	N0000175558	Alkylating Drug
MeSH PA	D000477	Alkylating Agents
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D018906	Antineoplastic Agents, Alkylating
CHEBI has role	CHEBI:22333	alkylating agent
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:35705	immunosuppressive agent
CHEBI has role	CHEBI:50903	carcinogenic agent
CHEBI has role	CHEBI:76595	nephroprotective agent
CHEBI has role	CHEBI:88188	drug allergen

Disease	Relation	SNOMED_ID	DOID
Chronic lymphoid leukemia, disease	indication	92814006
Hodgkin's disease	indication	118599009
Follicular non-Hodgkin's lymphoma	indication	308121000
Minimal change disease	off-label use	44785005	DOID:10966
Mycosis fungoides	off-label use	118618005
Waldenström macroglobulinemia	off-label use	190818004	DOID:0050747
Primary cutaneous T-cell lymphoma	off-label use	400122007
Lowered convulsive threshold	contraindication	19260006
Lymphocytopenia	contraindication	48813009	DOID:614
Fibrosis of lung	contraindication	51615001	DOID:3770
Nephrotic syndrome	contraindication	52254009	DOID:1184
Acute infectious disease	contraindication	63171007
Interstitial pneumonia	contraindication	64667001
Leukopenia	contraindication	84828003	DOID:615
Acute leukemia, disease	contraindication	91855006	DOID:12603
Secondary malignant neoplasm of bone marrow	contraindication	94217008
Radiation oncology AND/OR radiotherapy	contraindication	108290001
Seizure disorder	contraindication	128613002
Drug-induced hepatitis	contraindication	235876009
Anemia	contraindication	271737000	DOID:2355
Pregnancy, function	contraindication	289908002
Thrombocytopenic disorder	contraindication	302215000	DOID:1588
Neutropenic disorder	contraindication	303011007	DOID:1227
Bone marrow depression	contraindication	307762000
Breastfeeding (mother)	contraindication	413712001

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Delta-type opioid receptor	GPCR	P41143	OPRD_HUMAN	IC50	5.55	WOMBAT-PK
Cathepsin D	Enzyme	P07339	CATD_HUMAN	IC50	8.93	WOMBAT-PK
Cathepsin E	Enzyme	P14091	CATE_HUMAN	IC50	8.78	WOMBAT-PK
Disintegrin and metalloproteinase domain-containing protein 9	Enzyme	Q13443	ADAM9_HUMAN	IC50	7.25	WOMBAT-PK
Aldose reductase	Enzyme		ALDR_RAT	IC50	5.03	DRUG MATRIX

ID	Source
4018769	VUID
N0000147072	NUI
D00266	KEGG_DRUG
2346	RXNORM
C0008163	UMLSCUI
CHEBI:28830	CHEBI
CBL	PDB_CHEM_ID
CHEMBL515	ChEMBL_ID
DB00291	DRUGBANK_ID
D002699	MESH_DESCRIPTOR_UI
2708	PUBCHEM_CID
7143	IUPHAR_LIGAND_ID
603	INN_ID
18D0SL7309	UNII
4405	MMSL
71849	MMSL
d00188	MMSL
002632	NDDF
387249003	SNOMEDCT_US
46009007	SNOMEDCT_US
4018769	VANDF

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.65	acidic
pKa2	3.71	Basic