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Compound Detail

CHEMBL3039652

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NCc1ccc(CN(CCCCN(O)C(=O)/C=C/C(=O)O)C(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039652
Phase Preclinical
Structure Type MOL
InChI Key VVJLYOMZYOJGFM-BUHFOSPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

710.8
MW (Da)
5.27
ALogP
9
HBA
6
HBD
206.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H34N4O9S
MW 710.77
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine