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Compound Detail

CHEMBL1189085

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O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N/C(S)=N\c3ccc(C4CNCCc5cc(O)c(O)cc54)cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189085
Phase Preclinical
Structure Type MOL
InChI Key KWGVYZBWQPYGEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

659.7
MW (Da)
6.38
ALogP
9
HBA
7
HBD
152.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H29N3O7S
MW 659.72
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine