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Compound Detail

CHEMBL3188146

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CCN(CC)c1cc(NC(=O)c2cccc(C#N)c2)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3188146
Phase Preclinical
Structure Type MOL
InChI Key VKINFXFXNBENKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.45
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O
MW 295.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.07

Data from ChEMBL 36 via Core Engine