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Compound Detail

CHEMBL4301653

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CC(C)NCC(O)COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301653
Phase Preclinical
Structure Type MOL
InChI Key GSFLHNJHWSDSTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
1.04
ALogP
6
HBA
4
HBD
130.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N3O5S
MW 435.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine