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Compound Detail

CHEMBL5498836

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CNC(=O)c1nnc(Nc2cccc(OC)n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498836
Phase Preclinical
Structure Type MOL
InChI Key VMBIYFZMJDNOCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
1.93
ALogP
12
HBA
3
HBD
153.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N10O3
MW 462.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine