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Compound Detail

CHEMBL1186667

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CCCN1CCN(c2ncc(CCNC=O)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186667
Phase Preclinical
Structure Type MOL
InChI Key PKZXREQYQMBKFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
0.96
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.60
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 C13H22N4OS
MW 282.41
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.71

Data from ChEMBL 36 via Core Engine