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Compound Detail

CHEMBL280792

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O=C(NCc1ccc(C(=O)NO)cc1)NC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280792
Phase Preclinical
Structure Type MOL
InChI Key LEFMLPUTEQOROP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
2.57
ALogP
3
HBA
4
HBD
90.5
PSA (Ų)
0.50
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 C19H25N3O3
MW 343.43
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11992774 10.1016/s0960-894x(02)00175-0 HCT-116 1
14613312 10.1021/jm0303094 HCT-116 1

Data from ChEMBL 36 via Core Engine