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Compound Detail

CHEMBL12041

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C=CCNC1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12041
Phase Preclinical
Structure Type MOL
InChI Key LTMRVOPZSPNZHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
1.44
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O
MW 229.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine