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Compound Detail

CHEMBL4650600

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c1ccc2ncc(OC[C@@H]3C[C@H]4C[C@H]4N3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650600
Phase Preclinical
Structure Type MOL
InChI Key AJAVGMKGJFFREP-SLEUVZQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.36
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O
MW 240.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine