ETARFOLATIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 40UB1H6Q6T

Structure
InChI Key YZSIZVRFVQKMJU-RDGPPVDQSA-N
Smile N[C@@H](CNC(=O)CC[C@@H](NC(=O)c1ccc(NCc2c[nH]c3ncnc(=O)c-3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChI
InChI=1S/C29H34N10O11S/c30-16(25(44)38-18(7-21(41)42)26(45)39-19(11-51)29(49)50)10-32-20(40)6-5-17(28(47)48)37-24(43)13-1-3-14(4-2-13)31-8-15-9-33-23-22(36-15)27(46)35-12-34-23/h1-4,9,12,16-19,31,51H,5-8,10-11,30H2,(H,32,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)(H,47,48)(H,49,50)(H,33,34,35,46)/t16-,17+,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34N10O11S
Molecular Weight 730.72
AlogP -2.86
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 19.0
Polar Surface Area 337.88
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 51.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adenocarcinoma of Lung 2 D000077192 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 479578-27-3
ChEMBL CHEMBL4297280
DrugBank DB11810
FDA SRS 40UB1H6Q6T
PubChem 76958396
CONTENTS