Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM7GCVW)

Drug Name

Acalabrutinib Drug Info

Synonyms

Calquence; UNII-I42748ELQW; I42748ELQW; Acalabrutinib [INN]; Acalabrutinib [USAN:INN]; Calquence (TN); Acalabrutinib(ACP196); Acalabrutinib (ACP-196); GTPL8912; Acalabrutinib (JAN/USAN/INN); SCHEMBL14637368; EX-A881; WDENQIQQYWYTPO-IBGZPJMESA-N; KS-000006AT; KS-000006AD; s8116; BDBM50175583; AKOS030526094; ZINC208774715; DB11703; CS-5356; DS-3326

Indication

Disease Entry	ICD 11	Status	REF
leukaemia	2A60-2B33	Approved	[1]
Mantle cell lymphoma	2A85.5	Approved	[2]
Chronic lymphocytic leukaemia	2A82.0	Phase 3	[3]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 2	[4]

Cross-matching ID

PubChem CID: 71226662
ChEBI ID: CHEMBL3707348
CAS Number: CAS 1420477-60-6
TTD Drug ID: DM7GCVW
INTEDE Drug ID: DR0031
ACDINA Drug ID: D00005

Molecule-Related Drug Atlas

Molecule Type:

DTT

DME

DOT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Tyrosine-protein kinase BTK (ATK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibrutinib	DMHZCPO	Mantle cell lymphoma	2A85.5	Approved	[8]
Zanubrutinib	DMJWRQP	Mantle cell lymphoma	2A85.5	Approved	[9]
Pirtobrutinib	DMRG1X3	Non-hodgkin lymphoma	2B33.5	Approved	[10]
GDC-0853	DMBEL3Q	Multiple sclerosis	8A40	Phase 3	[11]
ICP-022	DMU72KL	Chronic lymphocytic leukaemia	2A82.0	Phase 3	[12]
Tolebrutinib	DML19V6	Multiple sclerosis	8A40	Phase 3	[13]
CC-292	DMJR9H0	Chronic lymphocytic leukaemia	2A82.0	Phase 2	[14]
BMS-986142	DMZB8AJ	Rheumatoid arthritis	FA20	Phase 2	[11]
LOU064	DME8O5K	Chronic idiopathic urticaria	EB00.1	Phase 2	[15]
BGB-3112	DMQCFSM	Follicular lymphoma	2A80	Phase 2	[3]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[16]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[17]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[18]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[19]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[20]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[21]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[22]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[23]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[17]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[24]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Drug(s) Metabolized By Cytochrome P450 3A5 (CYP3A5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[25]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[26]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[27]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[28]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[29]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[30]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[31]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[32]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[33]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[28]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Drug(s) Affected By C-reactive protein (CRP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lidocaine	DML4ZOT	Anaesthesia	9A78.6	Approved	[34]
Indinavir	DM0T3YH	Human immunodeficiency virus infection	1C62	Approved	[35]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[36]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[37]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[38]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[39]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[40]
Tibolone	DM78XFG	Anabolic metabolism	5C50-5C8Z	Approved	[41]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[42]
Milrinone	DM8TUPF	Congestive heart failure	BD10	Approved	[43]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase BTK (ATK)	TTGM6VW	BTK_HUMAN	Inhibitor	[2]
HUMAN bruton tyrosine kinase (BTK)	TTOWPER	BTK_HUMAN	Inhibitor	[5]

------------------------------------------------------------------------------------

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[6]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[6]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
C-reactive protein (CRP)	OT0RFT8F	CRP_HUMAN	Gene/Protein Processing	[7]

------------------------------------------------------------------------------------

References

1	FDA Approved Drug Products from FDA Official Website. 2019. Application Number: (NDA) 210259
2	2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	ClinicalTrials.gov (NCT04346199) Acalabrutinib Study With Best Supportive Care Versus Best Supportive Care in Subjects Hospitalized With COVID-19.. U.S. National Institutes of Health.
5	AstraZeneca initiates CALAVI clinical trial with Calquence against COVID-19
6	FDA label of Acalabrutinib. The 2020 official website of the U.S. Food and Drug Administration.
7	Inhibition of Bruton tyrosine kinase in patients with severe COVID-19. Sci Immunol. 2020 Jun 5;5(48):eabd0110. doi: 10.1126/sciimmunol.abd0110. Epub 2020 Jun 5.
8	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1948).
9	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
10	Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205.
11	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
12	Clinical pipeline report, company report or official report of InnoCare Pharma.
13	Safety and efficacy of tolebrutinib, an oral brain-penetrant BTK inhibitor, in relapsing multiple sclerosis: a phase 2b, randomised, double-blind, placebo-controlled trial. Lancet Neurol. 2021 Sep;20(9):729-738.
14	Inhibition of Btk with CC-292 provides early pharmacodynamic assessment of activity in mice and humans. J Pharmacol Exp Ther. 2013 Aug;346(2):219-28.
15	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
16	Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
17	Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
18	Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
19	Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
20	Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
21	Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
22	Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
23	The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
24	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
25	Drug related genetic polymorphisms affecting adverse reactions to methotrexate, vinblastine, doxorubicin and cisplatin in patients with urothelial cancer. J Urol. 2008 Dec;180(6):2389-95.
26	Human prostate CYP3A5: identification of a unique 5'-untranslated sequence and characterization of purified recombinant protein. Biochem Biophys Res Commun. 1999 Jul 14;260(3):676-81.
27	Polymorphisms in cytochrome P4503A5 (CYP3A5) may be associated with race and tumor characteristics, but not metabolism and side effects of tamoxifen in breast cancer patients. Cancer Lett. 2005 Jan 10;217(1):61-72.
28	Drug Interactions Flockhart Table
29	Induction of hepatic CYP2E1 by a subtoxic dose of acetaminophen in rats: increase in dichloromethane metabolism and carboxyhemoglobin elevation. Drug Metab Dispos. 2007 Oct;35(10):1754-8.
30	Urinary 6 beta-hydroxycortisol excretion in rheumatoid arthritis. Br J Rheumatol. 1997 Jan;36(1):54-8.
31	Clinical pharmacokinetics of imatinib. Clin Pharmacokinet. 2005;44(9):879-94.
32	Kinetics and regulation of cytochrome P450-mediated etoposide metabolism. Drug Metab Dispos. 2004 Sep;32(9):993-1000.
33	Differential mechanism-based inhibition of CYP3A4 and CYP3A5 by verapamil. Drug Metab Dispos. 2005 May;33(5):664-71.
34	ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
35	C-Reactive protein levels over time and cardiovascular risk in HIV-infected individuals suppressed on an indinavir-based regimen: AIDS Clinical Trials Group 5056s. AIDS. 2004 Dec 3;18(18):2434-7.
36	Simvastatin combined with ramipril treatment in hypercholesterolemic patients. Hypertension. 2004 Aug;44(2):180-5. doi: 10.1161/01.HYP.0000133310.42762.25. Epub 2004 Jun 7.
37	The anti-inflammatory flavones quercetin and kaempferol cause inhibition of inducible nitric oxide synthase, cyclooxygenase-2 and reactive C-protein, and down-regulation of the nuclear factor kappaB pathway in Chang Liver cells. Eur J Pharmacol. 2007 Feb 28;557(2-3):221-9.
38	Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
39	The influence of alclofenac treatment on acute-phase proteins, plasma tryptophan, and erythrocyte sedimentation rate in patients with rheumatoid arthritis. Curr Med Res Opin. 1975;3(5):286-97. doi: 10.1185/03007997509114779.
40	Intractable insomnia after cessation of treatment with thalidomide. Gastroenterology. 2001 May;120(6):1567-8. doi: 10.1053/gast.2001.24495.
41	Effects of hormone treatment on hemostasis variables. Climacteric. 2007 Oct;10 Suppl 2:32-7. doi: 10.1080/13697130701598548.
42	The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
43	The efficacy of preemptive Milrinone or Amrinone therapy in patients undergoing coronary artery bypass grafting. Anesth Analg. 2002 Jan;94(1):22-30, table of contents. doi: 10.1097/00000539-200201000-00005.