Details of the Drug

General Information of Drug (ID: DMSFK9V)

Drug Name

Daclatasvir

Synonyms

1009119-64-5; Daclatasvir (BMS-790052); 1214735-16-6; CHEBI:82977; C40H50N8O6; methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate; Daclatasvir (USAN); cc-39; Daclatasvir BMS 790052; MLS006011140; SCHEMBL2756027; CHEMBL2023898; SCHEMBL17897804; KS-00000XPC; EX-A410

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

738.9

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 4: low solubility and low permeability [2]
Clearance: The total clearance of drug is 4.2 L/h []
Half-life: The concentration or amount of drug in body reduced by one-half in 12 - 15 hours [3]
Metabolism: The drug is metabolized via the CYP3A4 isoform [4]
Unbound Fraction: The unbound fraction of drug in plasma is 0.01% [3]
Vd: The volume of distribution (Vd) of drug is 47 L []

Chemical Identifiers

Formula: C40H50N8O6
IUPAC Name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Canonical SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
InChI: InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1
InChIKey: FKRSSPOQAMALKA-CUPIEXAXSA-N

Cross-matching ID

PubChem CID: 25154714
ChEBI ID: CHEBI:82977
CAS Number: 1009119-64-5
DrugBank ID: DB09102
TTD ID: D09SGV
VARIDT ID: DR00144
INTEDE ID: DR0406
ACDINA ID: D00164

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Non-structural 5A (HCV NS5A)	TTCJ2X8	POLG_HCV1	Inhibitor	[5]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[6]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[7]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[7]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[7]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Daclatasvir

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
GS-9857	DMYU6P5	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by GS-9857.	Hepatitis virus infection [1E50-1E51]	[8]
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Coadministration of a Drug Treating the Disease Different from Daclatasvir (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Arn-509	DMT81LZ	Major	Increased metabolism of Daclatasvir caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[9]
Gilteritinib	DMTI0ZO	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Gilteritinib.	Acute myeloid leukaemia [2A60]	[9]
Erdafitinib	DMI782S	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Erdafitinib.	Bladder cancer [2C94]	[10]
Pexidartinib	DMS2J0Z	Major	Increased metabolism of Daclatasvir caused by Pexidartinib mediated induction of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[9]
Talazoparib	DM1KS78	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Talazoparib.	Breast cancer [2C60-2C6Y]	[11]
Tucatinib	DMBESUA	Major	Decreased metabolism of Daclatasvir caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[9]
Revefenacin	DMMP5SI	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Revefenacin.	Chronic obstructive pulmonary disease [CA22]	[12]
Lumacaftor	DMCLWDJ	Major	Increased metabolism of Daclatasvir caused by Lumacaftor mediated induction of CYP450 enzyme.	Cystic fibrosis [CA25]	[9]
MK-8228	DMOB58Q	Moderate	Decreased metabolism of Daclatasvir caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[13]
Stiripentol	DMMSDOY	Moderate	Decreased metabolism of Daclatasvir caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[13]
Ripretinib	DM958QB	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Ripretinib.	Gastrointestinal stromal tumour [2B5B]	[13]
Berotralstat	DMWA2DZ	Major	Decreased metabolism of Daclatasvir caused by Berotralstat mediated inhibition of CYP450 enzyme.	Innate/adaptive immunodeficiency [4A00]	[14]
Eluxadoline	DMYZ0P1	Major	Decreased clearance of Daclatasvir due to the transporter inhibition by Eluxadoline.	Irritable bowel syndrome [DD91]	[9]
PF-06463922	DMKM7EW	Major	Increased metabolism of Daclatasvir caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[9]
Capmatinib	DMYCXKL	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Capmatinib.	Lung cancer [2C25]	[15]
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of Daclatasvir caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[16]
GDC-0199	DMH0QKA	Major	Decreased clearance of Daclatasvir due to the transporter inhibition by GDC-0199.	Mature B-cell leukaemia [2A82]	[13]
Arry-162	DM1P6FR	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Arry-162.	Melanoma [2C30]	[13]
Ubrogepant	DM749I3	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Ubrogepant.	Migraine [8A80]	[17]
Lasmiditan	DMXLVDT	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Lasmiditan.	Migraine [8A80]	[18]
Fedratinib	DM4ZBK6	Moderate	Decreased metabolism of Daclatasvir caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[13]
Rolapitant	DM8XP26	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Rolapitant.	Nausea/vomiting [MD90]	[19]
S-297995	DM26IH8	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by S-297995.	Opioid use disorder [6C43]	[9]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Daclatasvir caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[20]
Relugolix	DMK7IWL	Major	Decreased clearance of Daclatasvir due to the transporter inhibition by Relugolix.	Prostate cancer [2C82]	[21]
Voxelotor	DMCS6M5	Moderate	Decreased metabolism of Daclatasvir caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[13]
LEE011	DMMX75K	Moderate	Decreased metabolism of Daclatasvir caused by LEE011 mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[13]
Fostamatinib	DM6AUHV	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Fostamatinib.	Thrombocytopenia [3B64]	[22]
Betrixaban	DM2C4RF	Moderate	Decreased clearance of Daclatasvir due to the transporter inhibition by Betrixaban.	Venous thromboembolism [BD72]	[23]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 2	E00446	2723854	Colorant
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Carmellose sodium	E00625	Not Available	Disintegrant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 400	E00653	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Daclatasvir 30 mg tablet	30 mg	Oral Tablet	Oral
Daclatasvir 60 mg tablet	60 mg	Oral Tablet	Oral
Daclatasvir 90 mg tablet	90 mg	Oral Tablet	Oral
Daclatasvir Dihydrochloride eq 30mg base tablet	eq 30mg base	Tablet	Oral
Daclatasvir Dihydrochloride eq 60mg base tablet	eq 60mg base	Tablet	Oral
Daclatasvir Dihydrochloride eq 90mg base tablet	eq 90mg base	Tablet	Oral

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
2	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Matsumoto K, Okamoto K, Ashizawa N, Nishino T: FYX-051: a novel and potent hybrid-type inhibitor of xanthine oxidoreductase. J Pharmacol Exp Ther. 2011 Jan;336(1):95-103. doi: 10.1124/jpet.110.174540. Epub 2010 Oct 15.
5	2011 Pipeline of Bristol-Myers Squibb.
6	Influence of ABCB11 and HNF4 genes on daclatasvir plasma concentration: preliminary pharmacogenetic data from the Kineti-C study. J Antimicrob Chemother. 2017 Oct 1;72(10):2846-2849.
7	Daclatasvir: a NS5A replication complex inhibitor for hepatitis C infection. Ann Pharmacother. 2016 Jan;50(1):39-46.
8	Product Information. Vosevi (sofosbuvir/velpatasvir/voxilaprevir). Gilead Sciences, Foster City, CA.
9	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
10	Product Information. Balversa (erdafitinib). Janssen Products, LP, Horsham, PA.
11	Product Information. Talzenna (talazoparib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
12	Product Information. Nexletol (bempedoic acid). Esperion Therapeutics, Ann Arbor, MI.
13	Cerner Multum, Inc. "Australian Product Information.".
14	Product Information. Intelence (etravirine). Ortho Biotech Inc, Bridgewater, NJ.
15	Product Information. Tabrecta (capmatinib). Novartis Pharmaceuticals, East Hanover, NJ.
16	Product Information. Retevmo (selpercatinib). Lilly, Eli and Company, Indianapolis, IN.
17	Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.
18	Product Information. Reyvow (lasmiditan). Lilly, Eli and Company, Indianapolis, IN.
19	Product Information. Varubi (rolapitant). Tesaro Inc., Waltham, MA.
20	Product Information. Xeglyze (abametapir topical). Dr. Reddy's Laboratories Inc, Upper Saddle River, NJ.
21	Product Information. Orgovyx (relugolix). Myovant Sciences, Inc., Brisbane, CA.
22	Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.
23	Product Information. Bevyxxa (betrixaban). Portola Pharmaceuticals, South San Francisco, CA.