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Compound Detail

CHEMBL5598173

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Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)/C=C/c5ccc(Cl)c(Cl)c5)c5ccccc54)cccc23)cc(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598173
Phase Preclinical
Structure Type MOL
InChI Key DWHQMWHCBDTWMD-HTXNQAPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

918.4
MW (Da)
11.30
ALogP
7
HBA
2
HBD
98.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H51Cl3N4O5
MW 918.36
Aromatic Rings 7
Heavy Atoms 64
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
39121336 10.1021/acs.jmedchem.4c00643 Induced myeloid leukemia cell differentiation protein Mcl-1 1
39121336 10.1021/acs.jmedchem.4c00643 HL-60 1

Data from ChEMBL 36 via Core Engine