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Compound Detail

CHEMBL306571

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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306571
Phase Preclinical
Structure Type MOL
InChI Key UPLRGVQPKVXGDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

581.6
MW (Da)
4.63
ALogP
11
HBA
1
HBD
126.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N5O6
MW 581.63
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine