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Compound Detail

CHEMBL1963448

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CC(C)(C)N/C(=N/C1CCCC1)SCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963448
Phase Preclinical
Structure Type MOL
InChI Key OXKMEPWPNZHEEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.5
MW (Da)
3.76
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H28N4S
MW 308.50
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine