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Compound Detail

CHEMBL4597678

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OC1CCN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@@H](O)[C@H]4O)c3N=CN21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597678
Phase Preclinical
Structure Type MOL
InChI Key WTDCXVGMCRJYHS-MDSNGIMYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.9
MW (Da)
0.94
ALogP
9
HBA
4
HBD
123.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN4O5
MW 432.86
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.75

Data from ChEMBL 36 via Core Engine