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Compound Detail

CHEMBL4596867

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O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccnnc3)cc2)S(=O)(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596867
Phase Preclinical
Structure Type MOL
InChI Key VPDABGSNXOUYRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
2.82
ALogP
8
HBA
2
HBD
138.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N6O4S
MW 490.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine