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Compound Detail

CHEMBL1195274

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCc3ccncc3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195274
Phase Preclinical
Structure Type MOL
InChI Key QNVRVGVVFLLGEE-SCTHIHQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
3.26
ALogP
9
HBA
2
HBD
125.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O8
MW 532.55
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine