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Compound Detail

CHEMBL220975

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CCC(C)NC(=O)[C@@H]1[C@@H](C(=O)NO)CC2(CC2)CN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220975
Phase Preclinical
Structure Type MOL
InChI Key AXVVLBQLURTOIQ-DVRYWGNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
0.51
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H25N3O3
MW 283.37
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
17256836 10.1021/jm061344o Receptor tyrosine-protein kinase erbB-2 1
17256836 10.1021/jm061344o Interstitial collagenase 1
17256836 10.1021/jm061344o 72 kDa type IV collagenase 1
17256836 10.1021/jm061344o Stromelysin-1 1
17256836 10.1021/jm061344o Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine