DAVUNETIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: GF00K3IIWE

Structure
InChI Key DWLTUUXCVGVRAV-XWRHUKJGSA-N
Smile CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI
InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H60N10O12
Molecular Weight 824.93
AlogP -4.34
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 22.0
Polar Surface Area 355.85
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 58.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Tubulin stabiliser PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Supranuclear Palsy, Progressive 2 D013494 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 211439-12-2
ChEMBL CHEMBL2103826
DrugBank DB12613
FDA SRS GF00K3IIWE
PubChem 9832404
SureChEMBL SCHEMBL239737
ZINC ZINC000085540112
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