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Compound Detail

CHEMBL1192212

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O=C1CN2Cc3c(sc4c3CCCCC4)N=C2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192212
Phase Preclinical
Structure Type MOL
InChI Key LPEAXTOLMYFYFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
1.95
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3OS
MW 261.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine