Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00239)
Name	Erlotinib
Synonyms	Click to Show/Hide the Synonyms of This API Erlotinib; 183321-74-6; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; Erlotinib free base; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; OSI-774; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-; UNII-J4T82NDH7E; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; 183321-74-6 (free base); NSC 718781; CHEMBL553; J4T82NDH7E; [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE; CHEBI:114785; MFCD02089651; NCGC00164574-01; [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine; DSSTox_CID_26454; DSSTox_RID_81628; DSSTox_GSID_46454; CP-358,774; Erlotinib(Tarceva); CAS-183321-74-6; NSC718781; RG-1415; Erlotinib [INN:BAN]; SR-05000001460; erlotinibum; CP358774; Erotinib; R-1415; HSDB 8082; OSI 744; nchembio866-comp3; Kinome_3317; n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride; R 1415; SCHEMBL8413; BDBM5446; cid_176870; GTPL4920; QUI124; DTXSID8046454; QCR-100; HMS2089F05; HMS3244M19; HMS3244M20; HMS3244N19; HMS3295A19; HMS3713C22; HMS3745M05; ZINC1546066; Tox21_112202; 3615AH; AC-399; NSC800097; STK623143; AKOS000282911; Tox21_112202_1; CCG-220420; CS-0620; DB00530; MCULE-7764565391; NSC-800097; Ro-508231; SB16916; NCGC00164574-03; NCGC00164574-05; NCGC00164574-06; NCGC00164574-14; AK142763; AS-35132; BCB03_000783; HY-50896; SY028059; AB0017012; AM20090621; FT-0651539; CP-35877401; A11416; K00241; S-7717; 15214-EP2269994A1; 15214-EP2272827A1; 15214-EP2281815A1; 15214-EP2292234A1; 15214-EP2292615A1; 15214-EP2295432A1; 15214-EP2298778A1; 15214-EP2301533A1; 15214-EP2301933A1; 15214-EP2305640A2; 15214-EP2305671A1; 15214-EP2305687A1; 15214-EP2308855A1; 15214-EP2311827A1; 15214-EP2311840A1; 15214-EP2311842A2; 15214-EP2316832A1; 15214-EP2316833A1; 32334-EP2281815A1; 32334-EP2292615A1; 32334-EP2301933A1; 32334-EP2305640A2; 32334-EP2305671A1; 32334-EP2311827A1; AB01273955-01; AB01273955-02; AB01273955-03; 134172-EP2292233A2; 321E746; Q418369; SR-05000001460-1; SR-05000001460-2; SR-05000001460-3; SR-05000001460-6; BRD-K70401845-003-04-7; n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy) quinazolin-4-amine; 1429636-49-6
Clinical Status	Approved
Disease Indication	Lung cancer		ICD-11: 2C25	[1]
PubChem CID	176870
Formula	C22H23N3O4
Canonical SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
InChI	1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
InChIKey	AAKJLRGGTJKAMG-UHFFFAOYSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=176870"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	393.4	Topological Polar Surface Area	74.7
	XlogP	3.3	Complexity	525
	Heavy Atom Count	29	Rotatable Bond Count	11
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	7

Full List of Drug Formulations (DFMs) Containing This API
Erlotinib 25 mg tablet			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Lactose monohydrate; Sodium lauryl sulfate; Fd&c yellow no. 6; Magnesium stearate; Titanium dioxide; Cellulose, microcrystalline; Hydroxypropyl cellulose; Hypromelloses; Sodium starch glycolate type a potato
Dosage Form	Oral Tablet
Company	Physicians Total Care
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Sunset yellow FCF	DIG Info	Solute carrier SLCO2B1 (Ki = 68.4 uM)	[2]
	Sodium lauryl sulfate	DIG Info	Solute carrier SLCO2B1 (Ki = 1.98 uM)	[2]
	Magnesium stearate	DIG Info	Albendazole monooxygenase (Protein expression downregulation)	[3]
Erlotinib 100 mg tablet			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Lactose monohydrate; Sodium lauryl sulfate; Magnesium stearate; Titanium dioxide; Cellulose, microcrystalline; Hydroxypropyl cellulose; Hypromelloses; Sodium starch glycolate type a potato
Dosage Form	Oral Tablet
Company	Physicians Total Care
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Sodium lauryl sulfate	DIG Info	Solute carrier SLCO2B1 (Ki = 1.98 uM)	[2]
	Magnesium stearate	DIG Info	Albendazole monooxygenase (Protein expression downregulation)	[3]
Erlotinib 150 mg tablet			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Lactose monohydrate; Sodium lauryl sulfate; Magnesium stearate; Titanium dioxide; Cellulose, microcrystalline; Hydroxypropyl cellulose; Hypromelloses; Sodium starch glycolate type a potato
Dosage Form	Oral Tablet
Company	Physicians Total Care
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Sodium lauryl sulfate	DIG Info	Solute carrier SLCO2B1 (Ki = 1.98 uM)	[2]
	Magnesium stearate	DIG Info	Albendazole monooxygenase (Protein expression downregulation)	[3]

References
1	FDA label for approved erlotinib from the official website of the U.S. Food and Drug Administration.
2	Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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