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Compound Detail

CHEMBL76811

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COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N2CCN(Cc3ccncc3)CC2)C(=O)NO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76811
Phase Preclinical
Structure Type MOL
InChI Key KDKAPGZYSCFRSI-AREMUKBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

625.7
MW (Da)
2.01
ALogP
10
HBA
2
HBD
150.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N5O8S
MW 625.70
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
12824039 10.1016/s0960-894x(03)00402-5 Bone morphogenetic protein 1 1

Data from ChEMBL 36 via Core Engine