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Compound Detail

CHEMBL1186037

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COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186037
Phase Preclinical
Structure Type MOL
InChI Key ILIVYKWOPIHRMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.08
ALogP
6
HBA
0
HBD
74.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5O2
MW 467.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine