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Compound Detail

CHEMBL2368151

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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.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368151
Phase Preclinical
Structure Type MOL
InChI Key YCPKLJDFQHGJKS-CDCWNEHUSA-N
Parent Compound CHEMBL2368825
Active Moiety CHEMBL2368825
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
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 C30H30BrF3N3O11P
MW 776.45
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 0.46

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.7 - -
T1/2 3.5 - -

Literature References

PubMed DOI Target Context # Activities
12408726 10.1021/jm0209275 ADMET 2
12408726 10.1021/jm0209275 No relevant target 1
12408726 10.1021/jm0209275 Nucleic Acid 1
12408726 10.1021/jm0209275 P3HR-1 1
12408726 10.1021/jm0209275 Unchecked 1

Data from ChEMBL 36 via Core Engine