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Compound Detail

CHEMBL4117243

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O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCCSSCCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117243
Phase Preclinical
Structure Type MOL
InChI Key VSLHVYXAJARFNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.1
MW (Da)
5.04
ALogP
7
HBA
2
HBD
70.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32ClNO4S2
MW 510.12
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine