SJG-136

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KT0ZQ64X1A

Structure
InChI Key RWZVMMQNDHPRQD-SFTDATJTSA-N
Smile C=C1C[C@H]2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1
InChI
InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H32N4O6
Molecular Weight 556.62
AlogP 4.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 102.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
CROSS-LINKING AGENT DNA cross-linking agent PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 232931-57-6
ChEMBL CHEMBL16498
DrugBank DB11965
EPA CompTox DTXSID20177864
FDA SRS KT0ZQ64X1A
PubChem 393111
SureChEMBL SCHEMBL12020905
ZINC ZINC000003994495
CONTENTS