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Compound Detail

CHEMBL1194918

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O=c1c2ccccc2c(-c2cccnc2)nn1-c1cc(-c2c(CO)c(CO)cc3ccccc23)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194918
Phase Preclinical
Structure Type MOL
InChI Key RHEPQEZTWYVSDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
4.65
ALogP
7
HBA
2
HBD
101.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22N4O3
MW 486.53
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine