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Compound Detail

CHEMBL4595762

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Nc1nc(N)c(-c2ccccc2)c(CCc2ccccc2OCCCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595762
Phase Preclinical
Structure Type MOL
InChI Key IJOXTEAWNSJRHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.10
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O
MW 424.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine