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Compound Detail

CHEMBL3976389

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C#Cc1cccc(Nc2ncnc3cc(O)c(OCCCCCCC(=O)NO)cc23)c1

Basic Information

ChEMBL ID CHEMBL3976389
Phase Preclinical
Structure Type MOL
InChI Key XHTXZNRHMUNECO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.90
ALogP
7
HBA
4
HBD
116.6
PSA (Ų)
0.17
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O4
MW 420.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine