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Compound Detail

CHEMBL1789711

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C(=C/[C@@H]1CCNC1)\c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789711
Phase Preclinical
Structure Type MOL
InChI Key PSBNIEMSZQGKQW-PGLGOXFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.70
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.74
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 C11H14N2
MW 174.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine