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Compound Detail

CHEMBL1193836

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

Basic Information

ChEMBL ID CHEMBL1193836
Phase Preclinical
Structure Type MOL
InChI Key IZXCGAMMMZSBAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
2.48
ALogP
5
HBA
0
HBD
63.5
PSA (Ų)
0.77
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 C22H27N5O
MW 377.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.73

Data from ChEMBL 36 via Core Engine