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Compound Detail

CHEMBL3545906

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Nc1nc(N)c2cc(CN3CCNCC3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545906
Phase Preclinical
Structure Type MOL
InChI Key NQIQBUOHHFGMKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
0.20
ALogP
6
HBA
3
HBD
93.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N6
MW 258.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine