NAV

APG-1387

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

Identification

Generic Name
APG-1387
DrugBank Accession Number
DB16095
Background

APG-1387 is under investigation in clinical trial NCT04568265 (A Clinical Study of APG-1387 in Combination With Entecavir in Patients With Chronic Hepatitis B).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1157.42
Monoisotopic: 1156.487430906
Chemical Formula
C60H72N10O10S2
Synonyms
  • Apg-1387 (smac mimetic)
External IDs
  • APG-1387
  • SM-1387
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
E53VN70K2X
CAS number
1570231-89-8
InChI Key
AKLBERUGKZNEJY-RTEPGWBGSA-N
InChI
InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1
IUPAC Name
(5S,8S,10aR)-3-(3-{[(5S,8S,10aR)-8-[(diphenylmethyl)carbamoyl]-5-[(2S)-2-(methylamino)propanamido]-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-3-yl]sulfonyl}benzenesulfonyl)-N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
SMILES
[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)S(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N1CC[C@@]2([H])CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
81367996

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentChronic Hep B / HBV / Viral Hepatitis B1
1CompletedTreatmentAdvanced Solid Tumors or Hematologic Malignancies1
1CompletedTreatmentChronic Hepatitis B Infection1
1, 2RecruitingTreatmentAdvanced Pancreatic Cancers1
1, 2RecruitingTreatmentAdvanced Solid Tumors1

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 Solubility0.0085 mg/mLALOGPS
logP3.23ALOGPS
logP2.88Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)11.13Chemaxon
pKa (Strongest Basic)8.9Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area255.84 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity308 m3·mol-1Chemaxon
Polarizability121.23 Å3Chemaxon
Number of Rings9Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0ab9-3900000003-f47195499f1abf9cacac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000001-eef6f42331cb900df2d1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aos-1900000004-a1a76e802a69f20e0fe3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-3600000009-e44a86dce677276d8e15
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05r0-3920000001-62f3e24f2b8d67449a74
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-4400001009-80134ec5cd77707fb4f2
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:05 / Updated at December 20, 2020 03:36