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Compound Detail

CHEMBL1477013

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CCOC(=O)C1CCN(C(c2cccnc2)c2c(NC(=O)c3ccco3)sc(C)c2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1477013
Phase Preclinical
Structure Type MOL
InChI Key FYETUTFFCYTDPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.97
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O4S
MW 467.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.77

Data from ChEMBL 36 via Core Engine