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Compound Detail

CHEMBL1193371

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c1ccc2c(Cc3c[nH]cn3)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193371
Phase Preclinical
Structure Type MOL
InChI Key PLUJZEYKAMYHOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
3.15
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2
MW 208.26
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine