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Compound Detail

CHEMBL1179676

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COC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179676
Phase Preclinical
Structure Type MOL
InChI Key RGPVNZPSKITBFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.42
ALogP
7
HBA
3
HBD
126.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O4S
MW 502.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine