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Compound Detail

CHEMBL1180064

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CCCCC/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180064
Phase Preclinical
Structure Type MOL
InChI Key QBIUGDFBJKRENR-DYTRJAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
70.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O2
MW 315.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine