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Compound Detail

CHEMBL4803335

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CC1(C)N=C(N)N=C(N)N1OCCCNS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803335
Phase Preclinical
Structure Type MOL
InChI Key RSRBMAGKCYGHKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
-0.03
ALogP
8
HBA
3
HBD
135.4
PSA (Ų)
0.59
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 C14H22N6O3S
MW 354.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine