Motixafortide

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

Identification

Name
Motixafortide
Accession Number
DB14939
Description

Motixafortide is under investigation in clinical trial NCT01838395 (Phase IIa Study Evaluating Safety and Efficacy of BL-8040 in Relapsed/Refractory AML Patients).

Type
Small Molecule
Groups
Investigational
Purchasing individual compounds or compound libraries for your research?
Learn More
Structure
Thumb
Weight
Average: 2159.55
Monoisotopic: 2158.07417006
Chemical Formula
C97H144FN33O19S2
Synonyms
Not Available
External IDs
  • BL-8040

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
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
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
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

Chemical Identifiers

UNII
DA9G065962
CAS number
664334-36-5
InChI Key
JJVZSYKFCOBILL-MKMRYRNGSA-N
InChI
InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1
IUPAC Name
(2S)-N-[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-17-yl]carbamoyl}-2-(naphthalen-2-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]-5-carbamimidamido-2-[(4-fluorophenyl)formamido]pentanamide
SMILES
NCCCC[[email protected]@H]1NC(=O)[[email protected]](CCCNC(N)=O)NC(=O)[[email protected]](CC2=CC=C(O)C=C2)NC(=O)[[email protected]](CSSC[[email protected]](NC(=O)[[email protected]](CCCNC(N)=O)NC(=O)[[email protected]](CCCNC(N)=N)NC(=O)[[email protected]](CC2=CC=C(O)C=C2)NC(=O)[[email protected]@H]2CCCN2C(=O)[[email protected]](CCCCN)NC1=O)C(=O)N[[email protected]@H](CCCNC(N)=N)C(N)=O)NC(=O)[[email protected]](CC1=CC=C2C=CC=CC2=C1)NC(=O)[[email protected]](CCCNC(N)=N)NC(=O)[[email protected]](CCCNC(N)=N)NC(=O)C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
64854351
ChEBI
145536

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Unknown StatusTreatmentMultiple Myeloma (MM)1
2Active Not RecruitingTreatmentAcute Lymphoblastic Leukaemias (ALL) / Acute Myeloid Leukemia (AML) / Chronic Chronic myelogenous leukemia / Hodgkins Disease (HD) / Multiple Myeloma (MM) / Myelodysplastic Syndrome / Myeloproliferative Neoplasms / Non-Hodgkin's Lymphoma (NHL)1
2Active Not RecruitingTreatmentPancreatic Adenocarcinoma Metastatic1
2Active Not RecruitingTreatmentPancreatic Adenocarcinoma Metastatic / Recurrent Pancreatic Adenocarcinoma / Stage IV Pancreatic Cancer AJCC v6 and v71
2CompletedTreatmentAcute Myeloid Leukemia (AML)1
2RecruitingTreatmentAdenocarcinoma of the Pancreas / Adenocarcinomas / Malignant Neoplasm of Pancreas1
2RecruitingTreatmentAdult T Lymphoblastic Lymphoma / T-Acute Lymphoblastic Leukemia1
2Unknown StatusTreatmentAcute Myeloid Leukemia (AML)1
2Unknown StatusTreatmentAplastic Anemia / Hypoplastic Myelodysplastic Syndrome1
1CompletedNot AvailableMobilization of Hematopoietic Stem Cells (HSC) to Peripheral Blood (PB)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 Solubility0.0298 mg/mLALOGPS
logP-0.57ALOGPS
logP-8.4ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)9.12ChemAxon
pKa (Strongest Basic)12.53ChemAxon
Physiological Charge6ChemAxon
Hydrogen Acceptor Count33ChemAxon
Hydrogen Donor Count34ChemAxon
Polar Surface Area892.04 Å2ChemAxon
Rotatable Bond Count49ChemAxon
Refractivity603.34 m3·mol-1ChemAxon
Polarizability223.58 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:36 / Updated on June 12, 2020 10:53

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates