TALAPORFIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P4ROX5ELT2

Structure
InChI Key VSEIDZLLWQQJGK-WSUYNKMOSA-N
Smile C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
InChI
InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H41N5O9
Molecular Weight 711.77
AlogP 5.95
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 12.0
Polar Surface Area 235.66
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 52.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135875
ChEMBL CHEMBL2111186
DrugBank DB11812
DrugCentral 2555
FDA SRS P4ROX5ELT2
PubChem 5486799
SureChEMBL SCHEMBL7827
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