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Compound Detail

CHEMBL5095684

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CCCCc1cc(/C=C2\N=C(c3ccc(Cc4ccc(O)cc4)[nH]3)C=C2OC)[nH]c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095684
Phase Preclinical
Structure Type MOL
InChI Key NYTYXEQKDFZTBZ-MYYYXRDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
5.66
ALogP
3
HBA
3
HBD
73.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O2
MW 415.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine