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Compound Detail

CHEMBL1196475

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COC(=O)c1c(C)[nH]c2c1C1C(=CC2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196475
Phase Preclinical
Structure Type MOL
InChI Key LSAHHCLHCBLVPW-VZSLOXQHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

695.6
MW (Da)
5.79
ALogP
7
HBA
1
HBD
104.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43BrN4O6
MW 695.65
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine