Details of the Drug

General Information of Drug (ID: DM5V9U1)

Drug Name

Gadofosveset

Synonyms

Vasovist (TN)

Indication

Disease Entry	ICD 11	Status	REF
Imaging	QA0B	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

891.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

18

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

17

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 0.1 mL/min/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 16.3 hours [2]
Unbound Fraction: The unbound fraction of drug in plasma is 0.16% [2]
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 0.15 L/kg [2]

Chemical Identifiers

Formula: C33H41GdN3O14P
IUPAC Name: 2-[[(2R)-2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
Canonical SMILES: [H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]
InChI: InChI=1S/C33H44N3O14P.Gd/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q;+3/p-3/t26-;/m1./s1
InChIKey: ZSDLYSDDELEVDD-UFTMZEDQSA-K

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Imaging

ICD Disease Classification

QA0B

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serum albumin (ALB)	DTT	ALB	7.92E-01	-0.07	-0.44

Molecular Expression Atlas (MEA)

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References

1	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds