COLISTIN

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Protein
Molecule Category: Parent
ATC: A07AA10
UNII: Z67X93HJG1

Structure
InChI Key JORAUNFTUVJTNG-BSTBCYLQSA-N
Smile CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI
InChI=1S/C53H102N16O12.C52H100N16O12/c1-9-31(6)12-10-11-13-43(72)61-35(15-21-55)46(74)68-42(32(7)70)28-60-34(14-20-54)45(73)65-39-19-25-59-53(81)44(33(8)71)69-50(78)38(18-24-58)63-47(75)36(16-22-56)64-51(79)40(26-29(2)3)67-52(80)41(27-30(4)5)66-48(76)37(17-23-57)62-49(39)77;1-28(2)11-9-10-12-42(71)60-34(14-20-54)45(73)67-41(31(7)69)27-59-33(13-19-53)44(72)64-38-18-24-58-52(80)43(32(8)70)68-49(77)37(17-23-57)62-46(74)35(15-21-55)63-50(78)39(25-29(3)4)66-51(79)40(26-30(5)6)65-47(75)36(16-22-56)61-48(38)76/h29-42,44,60,70-71H,9-28,54-58H2,1-8H3,(H,59,81)(H,61,72)(H,62,77)(H,63,75)(H,64,79)(H,65,73)(H,66,76)(H,67,80)(H,68,74)(H,69,78);28-41,43,59,69-70H,9-27,53-57H2,1-8H3,(H,58,80)(H,60,71)(H,61,76)(H,62,74)(H,63,78)(H,64,72)(H,65,75)(H,66,79)(H,67,73)(H,68,77)/t31?,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42+,44+;31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41+,43+/m11/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C105H202N32O24
Molecular Weight 2296.97
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 959 - - -
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- - 594 193 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Melanocortin receptor
- 193 - 168 -
Unclassified protein
- - 594 193 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia 3 D011014 ClinicalTrials
Pneumonia, Bacterial 3 D018410 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Bronchitis 3 D001991 ClinicalTrials
Cystic Fibrosis 3 D003550 ClinicalTrials
Bacteremia 2 D016470 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Osteomyelitis 1 D010019 ClinicalTrials
Brain Diseases 1 D001927 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 1066-17-7
ChEMBL CHEMBL2221249
DrugBank DB00803
FDA SRS Z67X93HJG1
Human Metabolome Database HMDB14941
Guide to Pharmacology 10794
PubChem 5311054
SureChEMBL SCHEMBL1979092
CAS NUMBER 1066-17-7
ChEMBL CHEMBL499783
DrugBank DB00803
FDA SRS Z67X93HJG1
Human Metabolome Database HMDB14941
Guide to Pharmacology 10794
PharmGKB PA164760862
PubChem 5311054
SureChEMBL SCHEMBL1979092
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