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Compound Detail

CHEMBL3304670

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N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304670
Phase Preclinical
Structure Type MOL
InChI Key GTXRFCUKMRHMRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.14
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O3
MW 259.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine