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Compound Detail

CHEMBL3039908

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CCOC(=O)NCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039908
Phase Preclinical
Structure Type MOL
InChI Key MQFPGPLIWRDLKR-NOLJZWGESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.06
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N3O3
MW 319.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine