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Compound Detail

CHEMBL4803318

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CC1(C)N=C(N)N=C(N)N1OCCCSC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803318
Phase Preclinical
Structure Type MOL
InChI Key GGDNOYCLPNDNJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
2.06
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H27N5OS
MW 313.47
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine