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Compound Detail

CHEMBL1180171

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N=C(N)NCc1cccc(CNC(=N)N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180171
Phase Preclinical
Structure Type MOL
InChI Key VQLXBFWCXAIXEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
-0.35
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N6
MW 220.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine