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Compound Detail

CHEMBL3040918

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COc1ccccc1Cn1cc(-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040918
Phase Preclinical
Structure Type MOL
InChI Key IKPSTJUNXQLLLI-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
2.39
ALogP
7
HBA
1
HBD
110.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2
MW 430.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine