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Compound Detail

CHEMBL4651213

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OCCCCC#Cc1cncc(OC[C@@H]2C[C@H]3C[C@H]3N2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651213
Phase Preclinical
Structure Type MOL
InChI Key CFWKQRTXGKVATK-YQQAZPJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
1.72
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O2
MW 286.37
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.56

Data from ChEMBL 36 via Core Engine