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Compound Detail

CHEMBL1191768

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CC(=N)Nc1ccc(CN2CCc3ccccc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191768
Phase Preclinical
Structure Type MOL
InChI Key QDIUVBVMGLOYCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
3.65
ALogP
2
HBA
2
HBD
39.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3
MW 279.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine