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Compound Detail

CHEMBL1215657

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COC(=O)c1ccnc(C(=O)OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1215657
Phase Preclinical
Structure Type MOL
InChI Key TVKOFNSTLWFQHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
0.65
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9NO4
MW 195.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
20684604 10.1021/jm1003655 LNCaP 2
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET1 2
20684604 10.1021/jm1003655 PC-3 1
20684604 10.1021/jm1003655 HCT-116 1
30343193 10.1016/j.ejmech.2018.10.027 Unchecked 1
38294854 10.1021/acs.jmedchem.3c01820 U2OS 1

Data from ChEMBL 36 via Core Engine