RSV-604

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
RSV-604
DrugBank Accession Number
DB15197
Background

RSV-604 is under investigation in clinical trial NCT00416442 (Safety, Tolerability and Pharmacokinetic Study of Single and Multiple Intravenous Doses of RSV604 in Healthy Subjects.).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 388.402
Monoisotopic: 388.133553966
Chemical Formula
C22H17FN4O2
Synonyms
Not Available
External IDs
  • RSV604

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6NF9HI6D98
CAS number
676128-63-5
InChI Key
MTPVBMVUENFFLL-HXUWFJFHSA-N
InChI
InChI=1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)/t20-/m1/s1
IUPAC Name
3-(2-fluorophenyl)-1-[(3S)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea
SMILES
FC1=C(NC(=O)N[C@H]2N=C(C3=CC=CC=C3)C3=C(NC2=O)C=CC=C3)C=CC=C1

References

General References
Not Available
ChemSpider
4442963
ChEMBL
CHEMBL223402
ZINC
ZINC000003986763

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers (HV)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00568 mg/mLALOGPS
logP3.06ALOGPS
logP4.08Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)11.23Chemaxon
pKa (Strongest Basic)0.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area82.59 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity109.54 m3·mol-1Chemaxon
Polarizability39.25 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0019000000-626281fc2394940e69c2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ri-1598000000-8b7b6b5b05dceb003abc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0091000000-d2e709b822cc4a2f30f0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fgx-3491000000-f632920865e96fcbec78
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ei-0491000000-757c28f6a33997c3ed87
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-8930000000-cd74c1c4834346bd5ccc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:58 / Updated at June 12, 2020 16:53