LEMUTEPORFIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: EZ109VJ012

Structure
InChI Key LHXFPSQJODNWEW-DVNHMXKTSA-N
Smile C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)C(CCC(=O)OCCO)=C4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC
InChI
InChI=1S/C45H50N4O9/c1-9-18-57-40(51)15-12-28-25(4)32-20-35-27(10-2)24(3)33(46-35)21-38-31-14-11-30(43(53)55-7)42(44(54)56-8)45(31,6)39(49-38)23-34-26(5)29(13-16-41(52)58-19-17-50)37(48-34)22-36(28)47-32/h10-11,14,20-23,42,47,49-50H,2,9,12-13,15-19H2,1,3-8H3/b35-20-,37-22-,38-21-,39-23-

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H50N4O9
Molecular Weight 790.91
AlogP 6.84
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 182.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 58.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Hyperplasia 2 D011470 ClinicalTrials
Acne Vulgaris 1 D000152 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107756
FDA SRS EZ109VJ012
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