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Compound Detail

CHEMBL3039697

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Cn1cc(-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039697
Phase Preclinical
Structure Type MOL
InChI Key BABWQFFJTWEXGD-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
0.87
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.90
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 C17H20N6O
MW 324.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine