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Compound Detail

CHEMBL5315861

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Cc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5315861
Phase Preclinical
Structure Type MOL
InChI Key PMROUEQNDRYACR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.61
ALogP
8
HBA
2
HBD
78.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N7S
MW 417.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.68

Data from ChEMBL 36 via Core Engine