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Compound Detail

CHEMBL5222860

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COc1cc(C(C)(C)O)cc2c1c1ncc(-c3c(C)nnn3C)cc1n2[C@H](c1ccccc1)C1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222860
Phase Preclinical
Structure Type MOL
InChI Key LLTWUQWCIITFCB-SSEXGKCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
5.55
ALogP
8
HBA
1
HBD
87.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35N5O3
MW 525.65
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine