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Compound Detail

CHEMBL1193033

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CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCCC3)cs2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193033
Phase Preclinical
Structure Type MOL
InChI Key MLVIALUSOLQJGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
4.87
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35N3O2S
MW 441.64
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.63

Data from ChEMBL 36 via Core Engine