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Compound Detail

CHEMBL1183313

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COC[n+]1ccn(C)c1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183313
Phase Preclinical
Structure Type MOL
InChI Key YIIHPMSLLAVJGP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
-0.28
ALogP
4
HBA
1
HBD
50.6
PSA (Ų)
0.29
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 C7H12N3O2+
MW 170.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine