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Compound Detail

CHEMBL1193630

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CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193630
Phase Preclinical
Structure Type MOL
InChI Key WEPXFVXCYUTLIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
3.51
ALogP
5
HBA
0
HBD
63.5
PSA (Ų)
0.56
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 C27H29N5O
MW 439.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine