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Compound Detail

CHEMBL5275711

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NC1=NC(=O)N(C2CC(O)C(COP(=O)(O)O)O2)C(I)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275711
Phase Preclinical
Structure Type MOL
InChI Key RRSXNRVWZFVUJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.1
MW (Da)
-0.48
ALogP
6
HBA
4
HBD
154.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15IN3O7P
MW 435.11
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
33445154 10.1016/j.ejmech.2020.113149 HCT-116 1

Data from ChEMBL 36 via Core Engine