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Compound Detail

CHEMBL3547606

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COCC[C@H]1C[C@@H]1c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547606
Phase Preclinical
Structure Type MOL
InChI Key ZRUCSUZKLOXDQK-FAYQHZLMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
1.88
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N3O
MW 287.41
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine