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Compound Detail

CHEMBL4300104

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CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(C#N)cc4)cc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300104
Phase Preclinical
Structure Type MOL
InChI Key UUNDRWIAWIMELN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
5.93
ALogP
7
HBA
0
HBD
61.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O2S
MW 472.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.70

Data from ChEMBL 36 via Core Engine