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Compound Detail

CHEMBL11866

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CCCNC1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11866
Phase Preclinical
Structure Type MOL
InChI Key XTWUNLMHXDDOMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
1.67
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.84
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 C13H17N3O
MW 231.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine