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Compound Detail

CHEMBL3304461

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N=C(N)c1ccc(SCCOCCSc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304461
Phase Preclinical
Structure Type MOL
InChI Key USPXABOMGVOTQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.16
ALogP
5
HBA
4
HBD
109.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4OS2
MW 374.54
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine