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Compound Detail

CHEMBL3715799

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C#Cc1cc(OC)c(I)cc1Oc1cnc(N)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3715799
Phase Preclinical
Structure Type MOL
InChI Key IDTHMMBLTQWCIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.2
MW (Da)
2.03
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11IN4O2
MW 382.16
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine