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Compound Detail

CHEMBL1985725

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c1cncc(-c2nc3sc4c(c3c3nncn23)CCCC4)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1985725
Phase Preclinical
Structure Type MOL
InChI Key DUPOQSZMRLJXAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.28
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N5S
MW 307.38
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -2.50

Data from ChEMBL 36 via Core Engine