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Compound Detail

CHEMBL100487

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Cc1ccc(C2SCC(=O)N2CCCN(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100487
Phase Preclinical
Structure Type MOL
InChI Key DCWBVIOHQBJVIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
2.52
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.83
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 C15H22N2OS
MW 278.42
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine