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Compound Detail

CHEMBL5500126

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CNC(=O)c1nnc(Nc2cc(C)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500126
Phase Preclinical
Structure Type MOL
InChI Key YJTZVLVAYWKODG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
2.23
ALogP
11
HBA
3
HBD
144.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N10O2
MW 446.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine