EC-17

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V7YQ6134AE

Structure
InChI Key ZMTAPBHUSYTHBY-PMERELPUSA-N
Smile NC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
InChI
InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H36N10O10S
Molecular Weight 872.88
AlogP 3.03
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 13.0
Polar Surface Area 310.33
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 63.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 583037-91-6
ChEMBL CHEMBL4297279
DrugBank DB12559
EPA CompTox DTXSID40207031
FDA SRS V7YQ6134AE
PubChem 135564966
ZINC ZINC000206179007
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