L-377202

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VDXVABRQTV

Structure
InChI Key CZXGBIFEWYVYJY-NPLULESDSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1
InChI
InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C65H89N9O25
Molecular Weight 1396.46
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3093499
FDA SRS VDXVABRQTV
PubChem 56842144
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