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Compound Detail

CHEMBL3960576

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C=CCn1c(S)nc2sc3c(c2c1=O)CCN(C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3960576
Phase Preclinical
Structure Type MOL
InChI Key GCBOMIAEDMPPPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
1.92
ALogP
6
HBA
1
HBD
38.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3OS2
MW 293.42
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.22

Data from ChEMBL 36 via Core Engine