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Compound Detail

CHEMBL4302545

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COc1ncccc1CN[C@H]1[C@H]2Cc3ccccc3[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302545
Phase Preclinical
Structure Type MOL
InChI Key DTUNXWAQEYIEPD-XHSDSOJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine