BALIXAFORTIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: PRC974M49B

Structure
InChI Key MKXOUIKTXREBLX-NDKBASPVSA-N
Smile C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2
InChI
InChI=1S/C84H118N24O21S2/c1-44-68(114)104-62-41-130-131-42-63(105-75(121)58(36-47-16-22-51(111)23-17-47)99-69(115)53(10-5-31-91-84(88)89)95-71(117)55(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)94-76(122)61(40-109)103-78(62)124)77(123)100-57(35-46-14-20-50(110)21-15-46)73(119)96-54(26-27-67(87)113)70(116)98-56(9-3-4-29-85)82(128)108-34-8-13-66(108)83(129)107-33-7-12-65(107)80(126)102-59(37-48-18-24-52(112)25-19-48)74(120)101-60(72(118)93-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,118)(H,94,122)(H,95,117)(H,96,119)(H,97,125)(H,98,116)(H,99,115)(H,100,123)(H,101,120)(H,102,126)(H,103,124)(H,104,114)(H,105,121)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65-,66+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C84H118N24O21S2
Molecular Weight 1864.15
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C-X-C chemokine receptor type 4 antagonist PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 3 D001943 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1051366-32-5
ChEMBL CHEMBL4802129
FDA SRS PRC974M49B
PubChem 91864511
CONTENTS