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Compound Detail

CHEMBL2368825

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Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H](N)Cc1ccccc1)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368825
Phase Preclinical
Structure Type MOL
InChI Key AEBLCNKDRLHTKP-KONQRCQJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

662.4
MW (Da)
3.71
ALogP
11
HBA
2
HBD
161.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29BrN3O9P
MW 662.43
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 0.46

Data from ChEMBL 36 via Core Engine