PELITREXOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DHT6E8M4KP

Structure
InChI Key QXOPTIPQEVJERB-JQWIXIFHSA-N
Smile Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1
InChI
InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N5O6S
Molecular Weight 463.52
AlogP 0.99
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 187.5
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 2 D015179 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 446022-33-9
ChEMBL CHEMBL2107361
DrugBank DB12757
EPA CompTox DTXSID50196245
FDA SRS DHT6E8M4KP
PubChem 135431074
SureChEMBL SCHEMBL13916067
ZINC ZINC000004846117
CONTENTS