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Compound Detail

CHEMBL203930

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CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@](CC(=O)O)(C(F)(F)F)NCCNC(=O)[C@H](CCCN=C(N)N)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203930
Phase Preclinical
Structure Type MOL
InChI Key DOBAGVTXMCAPCK-TZHNIEJDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

628.6
MW (Da)
-1.11
ALogP
7
HBA
8
HBD
230.1
PSA (Ų)
0.09
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 C27H39F3N8O6
MW 628.65
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 0.98

Literature References

PubMed DOI Target Context # Activities
16509596 10.1021/jm0511334 Integrin alpha-V/beta-3 1
16509596 10.1021/jm0511334 Integrin alpha-V/beta-5 1

Data from ChEMBL 36 via Core Engine