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Compound Detail

CHEMBL1739203

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COc1cccc2[nH]nc(N=C3NCCN3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739203
Phase Preclinical
Structure Type MOL
InChI Key ZWEDMFFFSFCIQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
0.75
ALogP
3
HBA
3
HBD
74.3
PSA (Ų)
0.71
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 C11H13N5O
MW 231.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine