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Compound Detail

CHEMBL1190931

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Cc1cccc2c1OC(C1=NCCN1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190931
Phase Preclinical
Structure Type MOL
InChI Key SPEJPGYEEBLAIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
1.30
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O
MW 202.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine