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Compound Detail

CHEMBL3040779

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N=C(NCCCc1ccc(Cl)cc1)SCCCN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040779
Phase Preclinical
Structure Type MOL
InChI Key ONAOGLPJBGHKED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.0
MW (Da)
4.41
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28ClN3S
MW 353.96
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine