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Compound Detail

CHEMBL2001306

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CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2001306
Phase Preclinical
Structure Type MOL
InChI Key YREOUTRVJCIWQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.67
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.63
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 C17H18N4O3S
MW 358.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.29

Data from ChEMBL 36 via Core Engine