Structure

InChI Key AMDBBAQNWSUWGN-UHFFFAOYSA-N
Smile O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I
InChI
InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24I3N3O9
Molecular Weight 807.11
AlogP -2.02
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 12.0
Polar Surface Area 199.89
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Reference
Graft vs Host Disease; Leukemia; Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Leukemia, Myeloid; Leukemia, Myeloid, Acute; Multiple Myeloma; Myelodysplastic Syndromes Early Phase 1 ClinicalTrials

Related Entries

MCS

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
16.15
Skin and subcutaneous tissue disorders
16.09
Immune system disorders
11.2
Gastrointestinal disorders
8.14
Cardiac disorders
7.58
General disorders and administration site conditions
7.44
Nervous system disorders
6.94
Vascular disorders
6.27
Injury, poisoning and procedural complications
5.56
Renal and urinary disorders
3.96
Psychiatric disorders
2.92
Eye disorders
2.56

Cross References

Resources Reference
CAS NUMBER 87771-40-2
ChEBI 31717
ChEMBL CHEMBL1200614
DrugBank DB09134
DrugCentral 1471
EPA CompTox DTXSID2045521
FDA SRS N3RIB7X24K
PubChem 3741
SureChEMBL SCHEMBL24711