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Compound Detail

CHEMBL354404

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O=C(CCCN1CCN(C(=O)Oc2ccccc2)CC1)NC1c2ccccc2CSc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354404
Phase Preclinical
Structure Type MOL
InChI Key ZSJGODPZNKYDSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
5.09
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.51
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N3O3S
MW 501.65
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine