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Compound Detail

CHEMBL4441334

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COc1ccc(OC)c(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4441334
Phase Preclinical
Structure Type MOL
InChI Key NHRYOCPXWGGVGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.65
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O4
MW 313.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine