Details of the Drug

General Information of Drug (ID: DM9Y3B5)

Drug Name

CMX-001

Synonyms

Brincidofovir; CMX001; 444805-28-1; Hexadecyloxypropyl-cidofovir; CMX 001; Hexadecyloxypropyl cidofovir; UNII-6794O900AX; 6794O900AX; HDP-Cidofovir; Cidofovir-HDP; [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid; Brincidofovir [USAN:INN]; Hexadecyloxypropyl - cidofovir; Cidofovir prodrug; HDP-HPMPC; Brincidofovir (USAN); AC1LA8GF; 3-(hexadecyloxy)propyl hydrogen ((((S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

561.7

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 3400 mcgh/L [2]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 480 mcg/L [2]
Bioavailability: The bioavailability of drug is 13.4% [2]
Clearance: The clearance of drug is 44.1 L/h [2]
Elimination: The drug is eliminated as metabolites in both the urine (~51%) and feces (~40%) [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 19.3 hours [2]
Metabolism: The drug is metabolized via the carboxylation of the terminal carbon followed by several cycles of CYP-mediated oxidative reactions and fatty acid oxidation [2]
Vd: The volume of distribution (Vd) of drug is 1230 L [2]

Chemical Identifiers

Formula: C27H52N3O7P
IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
Canonical SMILES: CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O
InChI: InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1
InChIKey: WXJFKKQWPMNTIM-VWLOTQADSA-N

Cross-matching ID

PubChem CID: 483477
CAS Number: 444805-28-1
DrugBank ID: DB12151
TTD ID: D0W5NW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA-dependent DNA polymerase (DPOL)	TTATL6Y	DPOLQ_HUMAN ; DPOLN_HUMAN ; DPOLB_HUMAN ; DPOG2_HUMAN ; DPOG1_HUMAN ; DPOE2_HUMAN ; DPOD4_HUMAN ; DPOD1_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02087306) Phase III, Open-labeled, Multicenter Study of the Safety and Efficacy of Brincidofovir (CMX001) in the Treatment of Early Versus Late Adenovirus Infection. U.S. National Institutes of Health.
2	FDA Approved Drug Products: Tembexa (brincidofovir) for oral administration
3	Detection of Molluscum Contagiosum Virus (MCV) DNA in the Plasma of an Immunocompromised Patient and Possible Reduction of MCV DNA With CMX-001. J Infect Dis. 2012 March 1; 205(5): 794-797.