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Compound Detail

CHEMBL4804154

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CCCNC(=N)Nc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804154
Phase Preclinical
Structure Type MOL
InChI Key LPEPZAFSOWHVRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.19
ALogP
4
HBA
5
HBD
84.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N6
MW 364.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine