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Compound Detail

CHEMBL3701278

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C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3701278
Phase Preclinical
Structure Type MOL
InChI Key XFRUUWLGSXWQSM-PXNSSMCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
1.93
ALogP
9
HBA
1
HBD
121.8
PSA (Ų)
0.34
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 C25H25N5O5
MW 475.51
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine