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Compound Detail

CHEMBL4554374

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Cc1ccc(C)n1-c1cc(-c2nnc(-c3ccc(O)c(O)c3O)o2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4554374
Phase Preclinical
Structure Type MOL
InChI Key SSRSUDDIGLSEPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.63
ALogP
8
HBA
4
HBD
141.8
PSA (Ų)
0.38
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 C21H17N3O6
MW 407.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine