IDH305

Search structure


Synonyms:	Idh305
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	DCGDPJCUIKLTDU-QWQRMKEZSA-N
Smile	Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)F)n2)ncc1-c1ccnc(C(F)(F)F)c1
InChI	InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14+,18-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H22F4N6O2
Molecular Weight	490.46
AlogP	5.12
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	93.13
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	35.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor	Other PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	73-316	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Glioma	2	D005910	ClinicalTrials
Leukemia, Myeloid, Acute	1	D015470	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4167360

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