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Compound Detail

CHEMBL3040070

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COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCNC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040070
Phase Preclinical
Structure Type MOL
InChI Key MVQIWKVEEIZQLL-WWGRRREGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.21
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O2
MW 276.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine