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Compound Detail

CHEMBL560313

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N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560313
Phase Preclinical
Structure Type MOL
InChI Key WWTASRSHEGBDMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.6
MW (Da)
4.82
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4S
MW 378.55
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine