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Compound Detail

CHEMBL5499138

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CCC(=O)Nc1cc(Nc2nccc(-c3ncn(C)n3)c2OC)c(C(=O)NC)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499138
Phase Preclinical
Structure Type MOL
InChI Key BUHDGIBFOZZGCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
1.13
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N9O3
MW 411.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine