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Compound Detail

CHEMBL4803749

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CC1(C)N=C(N)N=C(N)N1OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803749
Phase Preclinical
Structure Type MOL
InChI Key RMBUSLUAROJDLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
-0.51
ALogP
10
HBA
3
HBD
178.5
PSA (Ų)
0.32
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 C13H19N7O5S
MW 385.41
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.10

Data from ChEMBL 36 via Core Engine