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Compound Detail

CHEMBL1186178

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COc1ccc(N2N=C(S(C)(=O)=O)C3CCN(c4ccc(C5(CN6CCCC6)CC5)cc4)C(=O)C32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186178
Phase Preclinical
Structure Type MOL
InChI Key DOZKWGKHXPBOML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
3.42
ALogP
7
HBA
0
HBD
82.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N4O4S
MW 522.67
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine