NM-404 I-131

Search structure


Synonyms:	131I-CLR1404 131I-NM-404 CLR-131 CLR131 CLR-1404 I-131 I-131-clr1404 I-131-CLR1404 Nm-404 i-131
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	R048696O9L

Structure


InChI Key	ZOAIEFWMQLYMTF-YRKXUXMHSA-N
Smile	C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([131I])cc1
InChI	InChI=1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3/i30+4

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H53INO4P
Molecular Weight	641.63
AlogP	8.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	24.0
Polar Surface Area	58.59
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	36.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Glioma	2	D005910	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials
Multiple Myeloma	1	D009101	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4297495
DrugBank	DB15244
FDA SRS	R048696O9L
PubChem	16045365

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