OBI-3424

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X6SH5T8H76

Structure
InChI Key NWGZZGNICQFUHV-OAHLLOKOSA-N
Smile C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1
InChI
InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N4O6P
Molecular Weight 460.43
AlogP 3.91
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 105.0
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Biphenotypic, Acute 2 D015456 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297474
DrugBank DB16057
FDA SRS X6SH5T8H76
PDB 6LG
PubChem 126961329
SureChEMBL SCHEMBL20870529
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