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Compound Detail

CHEMBL4293712

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Ic1[nH]nnc1-c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293712
Phase Preclinical
Structure Type MOL
InChI Key GBYIAZVBQUPCIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.3
MW (Da)
4.73
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17IN6
MW 492.32
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine