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Compound Detail

CHEMBL4594707

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CCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594707
Phase Preclinical
Structure Type MOL
InChI Key NECAAKFLCOQNCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.50
ALogP
8
HBA
1
HBD
70.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7S
MW 395.54
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.09

Data from ChEMBL 36 via Core Engine