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Compound Detail

CHEMBL3040792

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COc1ccc(Cn2cc(-c3ccc(C[C@H](N)C(=O)N4CCC[C@H]4C#N)cc3)nn2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040792
Phase Preclinical
Structure Type MOL
InChI Key QQWAAYVLDUCPCB-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
2.39
ALogP
8
HBA
1
HBD
119.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O3
MW 460.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine