Details of the Drug

General Information of Drug (ID: DMNQ869)

Drug Name
ABT-267
Synonyms HCV therapeutic, Abbott
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 894.1
Logarithm of the Partition Coefficient (xlogp) 7.9
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 9
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 4: low solubility and low permeability [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 1.68 mL/min/kg [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 28.49 hours [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.001% [3]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 2.32 L/kg [3]
Chemical Identifiers
Formula
C50H67N7O8
IUPAC Name
methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Canonical SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
PIDFDZJZLOTZTM-KHVQSSSXSA-N
Cross-matching ID
PubChem CID
54767916
ChEBI ID
CHEMBL85183
CAS Number
1258226-87-7
UNII
2302768XJ8
DrugBank ID
DB09296
TTD ID
D0LF5Q
INTEDE ID
DR1193
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Modulator [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2C8 (CYP2C8)
Main DME 		DES5XRU CP2C8_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from ABT-267 (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Tedizolid DMG2SKR Moderate Decreased clearance of ABT-267 due to the transporter inhibition by Tedizolid. Skin and skin-structure infection [1F28-1G0Z] [6]

References

1 ClinicalTrials.gov (NCT01773070) A Follow up Study Designed to Obtain Long Term Data on Subjects Who Either Achieved a Sustained Virologic Response or or Did Not Achieve a Sustained Virologic Response in an Abbott Sponsored Hepatitis C Study. U.S. National Institutes of Health.
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 Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A. J Med Chem. 2014 Mar 13;57(5):2047-57.
5 Metabolism and disposition of pan-genotypic inhibitor of hepatitis C virus NS5A ombitasvir in humans. Drug Metab Dispos. 2016 Aug;44(8):1148-57.
6 Cerner Multum, Inc. "UK Summary of Product Characteristics.".