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Compound Detail

CHEMBL126847

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c1ccc([C@H]2C[C@@H]2CN2CCN(c3ncccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126847
Phase Preclinical
Structure Type MOL
InChI Key YDXFZRXCBRFBQS-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.40
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4
MW 294.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine