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Compound Detail

CHEMBL4864520

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CCOC(=O)C1(Oc2cc(N(C)c3nc(C)nc4ccccc34)ccc2OC)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864520
Phase Preclinical
Structure Type MOL
InChI Key MLCPCPWMAMHARV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
4.58
ALogP
7
HBA
0
HBD
73.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O4
MW 421.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
34648295 10.1021/acs.jmedchem.1c01451 Tubulin 3
34648295 10.1021/acs.jmedchem.1c01451 HCT-116 1
34648295 10.1021/acs.jmedchem.1c01451 A2780S 1
34648295 10.1021/acs.jmedchem.1c01451 MOLM-13 1

Data from ChEMBL 36 via Core Engine