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Compound Detail

CHEMBL1186099

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N#Cc1ccc(-c2cccc([C@H]3C[C@@H]3CN)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186099
Phase Preclinical
Structure Type MOL
InChI Key JBTMIDCEWNGQRZ-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
49.8
PSA (Ų)
0.91
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 C17H16N2
MW 248.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine